SCHEMBL6438285

SCHEMBL6438285

CN(C)C=Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.49
▸ KDM4B O94953 1/20 0.49
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ VCAM1 P19320 6/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 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
SCHEMBL6438274 1.00 KDM4A (0.49) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL1465907 0.92 ALDH1A1 (0.49) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL1465908 0.92 ALDH1A1 (0.49) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL6609820 0.89 ALDH1A1 (0.49) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL6609823 0.89 ALDH1A1 (0.49) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL13365085 0.88 ALDH1A1 (0.43) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL11614092 0.85 ALDH1A1 (0.50) KDM4AKDM4BMAPTALDH1A1PTGS2
SCHEMBL7445274 0.82 MAPT (0.44) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL7445278 0.82 MAPT (0.44) KDM4AKDM4BMAPTALDH1A1VCAM1
SCHEMBL6616919 0.81 PTGS2 (0.40) KDM4AKDM4BMAPTALDH1A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10279538-A — — None — — JP 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-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-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
JP-H10279538-A 2-NITRO-POLYHALOGEN-SUBSTITUTED-BETA-DIALKYLAMINOSTYRENE DERIVATIVE IHARA CHEM IND CO LTD 1998-10-20 — — JP 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 KDM4A 2035/4885KDM4B 2077/4885MAPT 2331/4885
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 KDM4A 2202/4885KDM4B 2650/4885MAPT 332/4885

“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.

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