SCHEMBL12849360

SCHEMBL12849360

CCc1nc2c(cc1C(C)C)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12204078 0.77 KDM4E (0.43) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1615699 0.77 SMN1; SMN2 (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1649946 0.75
SCHEMBL17658847 0.74 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL20350306 0.74 KDM4E (0.41) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL12671613 0.73 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL13372534 0.72 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL8388800 0.72 SMN1; SMN2 (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8388801 0.71 SMN1; SMN2 (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL14641186 0.70 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-9120813-B2 Oxadiazoanthracene compounds for the treatment of diabetes VTV THERAPEUTICS LLC (US) 2015-09-01 US disclosed
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes VTV THERAPEUTICS LLC 2015-03-26 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
US-7906507-B2 Oxadiazoanthracene compounds for the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2011-03-15 US disclosed
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-02-17 US disclosed
US-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT LUBIT BEVERLY W 2011-01-06 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2010-08-05 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7727983-B2 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability TRANSTECH PHARMA, INC. (US) 2010-06-01 US disclosed
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS LIPKIN PAMELA 2010-03-25 US disclosed
US-20090306063-A1 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability TRANS TECH. PHARMA. INC. (US) 2009-12-10 US disclosed
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use MJALLI ADNAN M M 2009-10-01 US disclosed
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith TRANSTECH PHARMA, INC. (US) 2009-02-05 US disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 KDM4E 1477/4885ALDH1A1 1899/4885NPC1 2522/4885
US-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT PGF, PTGS1, PTGS2 KDM4E 2376/4885ALDH1A1 498/4885NPC1 4127/4885
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith AGER, APP, BACE1 KDM4E 4005/4885ALDH1A1 3354/4885NPC1 1598/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 KDM4E 2832/4885ALDH1A1 4001/4885NPC1 4565/4885
US-20110039837-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC KDM4E 2666/4885ALDH1A1 102/4885NPC1 2545/4885
US-20090306063-A1 Glucagon-like peptide-1 (GLP-1) receptor modulators such as (S)-2-({(S)-6-Benzoyl-3-[4-(3,4-dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4'-cyano-biphenyl-4-yl)-propionic acid, used as antidiabetic agents; bioavailability GLP1R, GIPR, GCGR KDM4E 2534/4885ALDH1A1 637/4885NPC1 3242/4885
US-20100197677-A1 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES GLP1R, GPR119, OTC KDM4E 2666/4885ALDH1A1 102/4885NPC1 2545/4885
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS PTGER1, PGF, PTGER2 KDM4E 1666/4885ALDH1A1 534/4885NPC1 4002/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 KDM4E 1084/4885ALDH1A1 2892/4885NPC1 1384/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KDM4E 769/4885ALDH1A1 3036/4885NPC1 653/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885ALDH1A1 3093/4885NPC1 2378/4885
US-20150087640-A1 Oxadiazoanthracene Compounds for the Treatment of Diabetes GLP1R, GPR119, OTC KDM4E 2722/4885ALDH1A1 91/4885NPC1 2567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.