SCHEMBL3538552

SCHEMBL3538552

Cc1ccncc1-c1nc(C(=O)N2CCCCC2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.56
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR2 P34972 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL3545567 0.88 HTR2C (0.67) HTR2CNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6654343 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EIRAK4
SCHEMBL6649854 0.78 HTR2B (0.52) ALDH1A1HPGDKDM4EIRAK4
SCHEMBL3814181 0.78 CDK5 (0.54) CNR2NPC1RAB9AALDH1A1HPGD
SCHEMBL3540590 0.77 ALDH1A1 (0.61) HTR2CMEN1KMT2ANPC1RAB9A
SCHEMBL12279672 0.76 IRAK4 (0.51) HTR2CALDH1A1HPGDKDM4EIRAK4
SCHEMBL3813576 0.76 CYP19A1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4973792 0.76 GABRA1 (0.39) MEN1KMT2ACNR2ALDH1A1SMN1; SMN2
SCHEMBL12278965 0.74 IRAK4 (0.49) HTR2CNPC1RAB9AALDH1A1KDM4E
SCHEMBL29944255 0.74 NPC1 (0.57) HTR2CMEN1KMT2ACNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US claimed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (2 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-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 HTR2C 1877/4885MEN1 1402/4885KMT2A 1813/4885
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 HTR2C 422/4885MEN1 702/4885KMT2A 1489/4885

“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.