SCHEMBL6437801

SCHEMBL6437801

COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 2/20 0.40
USP30 Q70CQ3 1/20 0.38
EGFR P00533 2/20 0.37
HTR4 Q13639 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSD17B10 Q99714 1/20 0.36
EZH2 Q15910 1/20 0.36

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
SCHEMBL6581522 0.86 HTR4 (0.39) ATP6V1B1HTR4
SCHEMBL6439063 0.84 HDAC6 (0.49) ATP6V1B1HDAC4HDAC6EZH2
SCHEMBL6439903 0.82 MEN1 (0.41) ATP6V1B1USP30HDAC4HDAC6EZH2
SCHEMBL6438031 0.76 PRKAG1 (0.47)
SCHEMBL6580792 0.75 ATP6V1B1 (0.50) ATP6V1B1HTR4HSD17B10EZH2
SCHEMBL6582454 0.75 EZH2 (0.39) ATP6V1B1HDAC4HDAC6EZH2
SCHEMBL5651116 0.74 EGFR (0.40) EGFRHTR4
SCHEMBL6583037 0.74 ATP6V1B1 (0.43) ATP6V1B1HSD17B10EZH2
SCHEMBL6582746 0.72 MCHR1 (0.54) ATP6V1B1HTR4
SCHEMBL6440355 0.72 KCNQ2 (0.43) HSD17B10

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
EP-1042316-B1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS NIKEM RESEARCH SRL (IT) 2005-02-09 EP claimed
US-6506758-B2 4-(5,6-dichloro-1H-indol-2-yl)-N-(1,2,2,6,6-pentamethyl -piperidin-4-yl)benzamide, for example; selective for mammalian osteoclasts, acting to selectively inhibit their bone resorbing activity SMITHKLINE BEECHAM LABORATOIRES PHARMCEUTIQUES (FR) 2003-01-14 US claimed
US-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES 2002-07-25 US claimed
EP-1042316-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2000-10-11 EP claimed
WO-1999033822-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1999-07-08 WO claimed
EP-1042316-B1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS NIKEM RESEARCH SRL (IT) 2005-02-09 EP disclosed
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications FARINA CARLO (IT) 2004-11-25 US disclosed
EP-1212317-B1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS NIKEM RESEARCH SRL (IT) 2004-09-15 EP disclosed
US-6787550-B1 4-(5,6-DICHLORO-1H-INDOL-2-YL)-3-ETHOXY-N-(2,2,6,6 -TETRAMETHYLTETRAMETHYLPIPERIDIN-4-YL)-BENZAMIDE NIKEM RESEARCH S.R.L. (IT) 2004-09-07 US disclosed
US-6506758-B2 4-(5,6-dichloro-1H-indol-2-yl)-N-(1,2,2,6,6-pentamethyl -piperidin-4-yl)benzamide, for example; selective for mammalian osteoclasts, acting to selectively inhibit their bone resorbing activity SMITHKLINE BEECHAM LABORATOIRES PHARMCEUTIQUES (FR) 2003-01-14 US disclosed
US-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES 2002-07-25 US disclosed
EP-1212317-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GlaxoSmithKline S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001002388-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GLAXOSMITHKLINE S.P.A. (IT) 2001-01-11 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-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SOST, NR3C2, EBP ATP6V1B1 3106/4885USP30 3647/4885EGFR 878/4885
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 ATP6V1B1 401/4885USP30 4049/4885EGFR 356/4885

“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.