SCHEMBL6524825

SCHEMBL6524825

COc1ccc(CNC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)cs3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TRPC3 Q13507 2/20 0.49
TRPC6 Q9Y210 2/20 0.49
GLA P06280 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
PI4KB Q9UBF8 1/20 0.45
GFER P55789 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15121640 0.89 KMT2A (0.58) KMT2AMEN1TRPC3TRPC6HRH3
SCHEMBL1044469 0.86 HRH3 (0.46) KMT2AMEN1TRPC3TRPC6GLA
SCHEMBL1044671 0.86 KMT2A (0.61) KMT2AMEN1TRPC3TRPC6GFER
SCHEMBL1042765 0.85 S1PR1 (0.44) KMT2AMEN1GLAHRH3PI4KB
SCHEMBL1044306 0.85 GLA (0.43) KMT2AMEN1TRPC3TRPC6GLA
SCHEMBL1044732 0.84 GLA (0.41) KMT2AMEN1TRPC3TRPC6GLA
SCHEMBL15121883 0.82 GLA (0.40) KMT2AMEN1TRPC3TRPC6GLA
SCHEMBL1045166 0.79 ALDH1A1 (0.59) KMT2AMEN1TRPC3TRPC6POLB
SCHEMBL1044400 0.78 FAAH (0.41) KMT2AMEN1TRPC3TRPC6HRH3
SCHEMBL1077788 0.76 CNR2 (0.51) KMT2AMEN1TRPC3TRPC6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US claimed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP claimed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 US claimed
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP disclosed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 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 (1 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-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 HSD11B1, HSD17B1, HSD11B2 KMT2A 4504/4885MEN1 1539/4885TRPC3 4307/4885

“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.