SCHEMBL5754358

SCHEMBL5754358

CC(=O)Nc1ccc2c(C#N)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ HSD17B1 P14061 1/20 0.50
▸ HSD17B2 P37059 1/20 0.50
▸ PLA2G7 Q13093 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ FABP7 O15540 1/20 0.45
▸ FABP3 P05413 1/20 0.45
▸ FABP5 Q01469 1/20 0.45

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
SCHEMBL14503720 0.81 TTK (0.48) ALDH1A1POLBHPGDTTK
SCHEMBL31347620 0.80 ALDH1A1 (0.58) ALDH1A1MAPTHPGDHTTKMT2A
SCHEMBL14209970 0.80 ALDH1A1 (0.58) ALDH1A1MAPTHPGDHTTKMT2A
SCHEMBL29963136 0.78 HSD17B1 (0.76) ALDH1A1HSD17B1HSD17B2HSD17B10CYP1A2
SCHEMBL11900180 0.78 CASP6 (0.68) ALDH1A1HSD17B1HSD17B2HSD17B10CYP1A2
SCHEMBL19355161 0.78 HSD17B1 (0.55) ALDH1A1HSD17B1HSD17B2HSD17B10CYP1A2
SCHEMBL1122275 0.78 HSD17B1 (0.76) ALDH1A1HSD17B1HSD17B2HSD17B10CYP1A2
SCHEMBL1807568 0.78 HSD17B1 (0.55) ALDH1A1HSD17B1HSD17B2HSD17B10CYP1A2
SCHEMBL6746166 0.76 MAPT (0.62) ALDH1A1HSD17B1HSD17B2CYP1A2POLB
SCHEMBL8030049 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B1HSD17B2PLA2G7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053108-B2 Indoline compounds LES LABORATOIRES SERVIER (FR) 2006-05-30 — — US disclosed
EP-1348704-B1 Indole derivatives as 5-HT2C antagonists, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2006-05-17 — — EP disclosed
US-6998403-B2 Benzoindoline compounds LES LABORATOIRES SERVIER (FR) 2006-02-14 — — US disclosed
EP-1516871-A1 Benzoindoline derivatives with adrenergic activity Les Laboratoires Servier (FR) 2005-03-23 — — EP disclosed
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia LES LABORATOIRES SERVIER (FR) 2005-03-17 — — US disclosed
US-20040192736-A1 New indoline compounds LAVIELLE GILBERT (FR) 2004-09-30 — — US disclosed
US-6759421-B2 N-(3-PYRIDYL)-1,2-DIHYDRO-3H-BENZO(E)INDOLE-3-CARBOXAMIDE DERIVATIVES USEFUL AS A 5-HT2C ANTAGONIST LES LABORATOIRES SERVIER (FR) 2004-07-06 — — US disclosed
US-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2003-10-23 — — US disclosed
EP-1348704-A1 Indole derivatives as 5-HT2C antagonists, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-10-01 — — 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 (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-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them TPH1, IDO1, HTR3A ALDH1A1 977/4885HSD17B1 551/4885HSD17B2 439/4885
US-20040192736-A1 New indoline compounds TPH1, HTR3A, HTR1D ALDH1A1 643/4885HSD17B1 397/4885HSD17B2 319/4885
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia HTR2C, HTR2A, ADRA2C ALDH1A1 755/4885HSD17B1 550/4885HSD17B2 313/4885

“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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