SCHEMBL767915

SCHEMBL767915

Cc1ncsc1CCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SLC6A3 Q01959 1/20 0.41
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL14214442 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL12919878 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL22840968 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL680649 0.77
SCHEMBL2608939 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4ELMNA
Clomethiazole SCHEMBL35223 0.75
SCHEMBL259480 0.75
SCHEMBL5871890 0.75
SCHEMBL8011142 0.75
SCHEMBL2642153 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160348110-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS INC (US) 2016-12-01 US disclosed
US-9453043-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-07-30 US disclosed
US-8975389-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2015-03-10 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 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 (5 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-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 ALDH1A1 1390/4885KMT2A 1073/4885MEN1 1800/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C ALDH1A1 650/4885KMT2A 1311/4885MEN1 4157/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C ALDH1A1 645/4885KMT2A 2573/4885MEN1 3816/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885KMT2A 864/4885MEN1 4418/4885
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 ALDH1A1 1352/4885KMT2A 1045/4885MEN1 1711/4885

“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.