SCHEMBL8250696

SCHEMBL8250696

Cc1ccc(-c2c[nH]c(C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MITF O75030 2/20 0.41
LMNA P02545 1/20 0.41
KDM5A P29375 1/20 0.41
KDM5C P41229 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL28836149 0.98 KMT2A (0.43) METAP2METAP1ENPP3ENPP1KMT2A
SCHEMBL17066733 0.98 ENPP3 (0.46) METAP2METAP1ENPP3ENPP1KMT2A
SCHEMBL17983446 0.91 ENPP3 (0.36) METAP2METAP1ENPP3ENPP1KMT2A
SCHEMBL28574508 0.83 MAPT (0.47) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3669956 0.83 MEN1 (0.43) KMT2AMEN1KDM4ESMN1; SMN2NPC1
SCHEMBL24484639 0.83 RAB9A (0.47) METAP2KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL15823275 0.83 RAD51 (0.43) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13545715 0.83 PDGFRB (0.44) METAP2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8010306 0.83 KEAP1 (0.41) METAP2KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1008901 0.83 MEN1 (0.46) KMT2AMEN1KDM4ESMN1; SMN2NPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-8173699-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-20100190767-A1 Compounds for the treatment of inflammatory diseases ANDERSKEWITZ RALF 2010-07-29 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 WO 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 (7 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-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 METAP2 3781/4885METAP1 3458/4885ENPP3 1030/4885
US-20100190767-A1 Compounds for the treatment of inflammatory diseases MALT1, IL1B, RORC METAP2 3696/4885METAP1 2080/4885ENPP3 2588/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 METAP2 3781/4885METAP1 3458/4885ENPP3 1030/4885
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 METAP2 4459/4885METAP1 4102/4885ENPP3 1104/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 METAP2 3781/4885METAP1 3458/4885ENPP3 1030/4885
US-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 METAP2 1943/4885METAP1 971/4885ENPP3 2540/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 METAP2 1656/4885METAP1 1123/4885ENPP3 3288/4885

“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.