SCHEMBL3570712

SCHEMBL3570712

CC(C)c1ccc(-n2c(C(=O)Cl)cc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ F10 P00742 3/20 0.49
▸ PLA2G10 O15496 6/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ PHGDH O43175 1/20 0.40
▸ DAO P14920 1/20 0.39
▸ UTS2R Q9UKP6 1/20 0.38
▸ CCR2 P41597 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3578110 0.87 ALDH1A1 (0.72) ALDH1A1TSHRF10PLA2G10SMN1; SMN2
SCHEMBL3571160 0.74 ECE1 (0.48) ALDH1A1TSHRF10SMN1; SMN2MEN1
SCHEMBL3957422 0.74 ALDH1A1 (0.79) ALDH1A1TSHRF10PLA2G10MCL1
SCHEMBL27677006 0.72 ALDH1A1 (0.57) ALDH1A1TSHRPLA2G10SMN1; SMN2MCL1
SCHEMBL5421995 0.71 ALDH1A1 (0.79) ALDH1A1TSHRF10PLA2G10MCL1
SCHEMBL9260948 0.71 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10SMN1; SMN2MCL1
SCHEMBL2322980 0.71 MCL1 (0.71) MCL1PHGDHDAOMEN1NPC1
SCHEMBL5208338 0.71 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10MCL1DAO
SCHEMBL30194196 0.71 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10MCL1DAO
SCHEMBL4327040 0.70 DAO (0.52) ALDH1A1TSHRF10PLA2G10MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101010297-B N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS 2011-07-27 — — CN disclosed
US-7781477-B2 Therapeutic use of N-(1H-Indolyl)-1H-indole-2-carboxamide derivatives SANOFI-AVENTIS (FR) 2010-08-24 — — US disclosed
US-20090286846-A1 Therapeutic use of N-(1H-Indolyl)-1H-indole-2-carboxamide derivatives SANOFI-AVENTIS (FR) 2009-11-19 — — US disclosed
US-7582671-B2 Therapeutic use of N-(1H-indolyl)-1H-indole-2-carboxamide derivatives SANOFI-AVENTIS (FR) 2009-09-01 — — US disclosed
US-20080227843-A1 THERAPEUTIC USE OF N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2008-09-18 — — US disclosed
US-7384969-B2 N-(1H-indolyl)-1H-indole-2-carboxamide derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-10 — — US disclosed
CN-101010297-A N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS (FR) 2007-08-01 — — CN disclosed
US-20070149602-A1 N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 — — 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 (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-20070149602-A1 N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE IDO1, IDO2, NPY5R ALDH1A1 1202/4885TSHR 730/4885F10 1655/4885
US-20080227843-A1 THERAPEUTIC USE OF N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES NPY5R, TPH2, TPH1 ALDH1A1 1189/4885TSHR 877/4885F10 1905/4885
US-20090286846-A1 Therapeutic use of N-(1H-Indolyl)-1H-indole-2-carboxamide derivatives NPY5R, TPH2, TPH1 ALDH1A1 1189/4885TSHR 877/4885F10 1905/4885

“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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