SCHEMBL5653240

SCHEMBL5653240

COc1cc(C#N)ccc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
P4HB P07237 2/20 0.40
MCL1 Q07820 1/20 0.40
MCHR1 Q99705 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL477893 0.87 AR (0.49) ARL3MBTL1MAPTMEN1KMT2A
SCHEMBL1614434 0.85 ALDH1A1 (0.57) ARSLC22A12MAPTALDH1A1USP2
SCHEMBL7291041 0.85 AR (0.46) ARSLC22A12MAPTALDH1A1USP2
SCHEMBL1613328 0.83 AR (0.45) ARSLC22A12GAAMCHR1LRRK2
SCHEMBL5901049 0.83 PARP15 (0.47) ARSLC22A12MAPTALDH1A1USP2
SCHEMBL5649740 0.83 TRPV4 (0.57) L3MBTL1MAPTALDH1A1GAATRPV4
Hydrochloric Acid SCHEMBL5900904 0.82 PARP15 (0.46) ARSLC22A12MAPTALDH1A1USP2
SCHEMBL13851552 0.81 HTR2A (0.43) ARL3MBTL1SLC22A12MAPTALDH1A1
SCHEMBL10752784 0.80 GSK3B (0.50) ARL3MBTL1SLC22A12MAPTMEN1
Acetonitrile SCHEMBL28828135 0.79 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 US disclosed
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-20040082786-A1 Piperazine based inhibitors of factor xa MILENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
EP-1322610-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP 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-2002026720-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-04-04 WO disclosed
EP-1187813-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 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
WO-2001000587-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-04 WO disclosed
EP-1042316-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2000-10-11 EP disclosed
WO-1999033822-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1999-07-08 WO disclosed
EP-0166609-A2 Aryl derivatives of heterobicyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-01-02 EP 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 (4 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 AR 150/4885L3MBTL1 1534/4885SLC22A12 1154/4885
US-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SOST, NR3C2, EBP AR 14/4885L3MBTL1 2820/4885SLC22A12 2302/4885
US-20040082786-A1 Piperazine based inhibitors of factor xa TFPI, F11, F12 AR 4375/4885L3MBTL1 1615/4885SLC22A12 1880/4885
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 AR 1236/4885L3MBTL1 2357/4885SLC22A12 3387/4885

“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.