SCHEMBL1275907

SCHEMBL1275907

Cc1ccc(F)c2c(C(=O)O)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.50
▸ CLCN2 P51788 1/20 0.50
▸ BRPF1 P55201 1/20 0.41
▸ CSNK2A1 P68400 5/20 0.40
▸ CSNK2A2 P19784 4/20 0.40
▸ CSNK2B P67870 4/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRKAB2 O43741 3/20 0.36
▸ PRKAG1 P54619 3/20 0.36
▸ PRKAA2 P54646 3/20 0.36
▸ PRKAA1 Q13131 3/20 0.36
▸ PRKAG3 Q9UGI9 3/20 0.36
▸ PRKAG2 Q9UGJ0 3/20 0.36
▸ PRKAB1 Q9Y478 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 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
SCHEMBL3613665 0.86 BRPF1 (0.46) ADRA2ACLCN2BRPF1CSNK2A1CSNK2A2
SCHEMBL27859207 0.83 BRPF1 (0.39) ADRA2ACLCN2BRPF1NR4A2ALDH1A1
SCHEMBL1274770 0.83 NR4A2 (0.56) ADRA2ACLCN2BRPF1NR4A2HSD17B10
SCHEMBL6872059 0.83 MAPK1 (0.42) ADRA2ACLCN2BRPF1NR4A2KDM4E
SCHEMBL16597426 0.80 CYP1A2 (0.39) ADRA2ACLCN2CSNK2A1CSNK2A2CSNK2B
SCHEMBL23809459 0.80 EIF4A3 (0.40) ADRA2ACLCN2CSNK2A1CSNK2A2CSNK2B
SCHEMBL16597393 0.80 KDM4E (0.52) ADRA2ACLCN2CSNK2A1CSNK2A2CSNK2B
SCHEMBL14037111 0.79 CSNK2A1 (0.39) ADRA2ACLCN2BRPF1CSNK2A1CSNK2A2
SCHEMBL13325432 0.76 ADRA2A (0.44) ADRA2ACLCN2BRPF1CSNK2A1CSNK2A2
SCHEMBL16610115 0.74 NPC1 (0.51) CYP1A2ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 — — CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
EP-3049391-A1 INDOL AND INDAZOL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-08-03 — — EP disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 — — US disclosed
WO-2015044072-A1 INDOL AND INDAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 — — WO disclosed
CN-102470132-B Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones SANOFI SA 2013-11-06 — — CN disclosed
EP-2480232-B1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI SA (FR) 2013-10-02 — — EP disclosed
EP-2480232-B1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI SA (FR) 2013-10-02 — — EP disclosed
EP-2480232-A1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-08-01 — — EP disclosed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 — — US disclosed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 — — US disclosed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 — — US disclosed
CN-102470132-A Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones SANOFI AVENTIS 2012-05-23 — — CN disclosed
WO-2011022449-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI-AVENTIS (FR) 2011-02-24 — — WO disclosed
WO-2011022449-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI-AVENTIS (FR) 2011-02-24 — — 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 (3 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-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES CMA1, TPSB2, TPSAB1 ADRA2A 345/4885CLCN2 700/4885BRPF1 4040/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ADRA2A 3946/4885CLCN2 2054/4885BRPF1 1265/4885
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 ADRA2A 408/4885CLCN2 1051/4885BRPF1 2581/4885

“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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