SCHEMBL3768295

SCHEMBL3768295

Nc1ccccc1-c1cc(C(=O)O)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.58
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HCAR2 Q8TDS4 5/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ DAO P14920 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYTH3 O43739 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ EPN1 Q9Y6I3 1/20 0.40

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
Hydrochloric Acid SCHEMBL11401357 0.98 ADORA3 (0.56) ADORA3MEN1KMT2APOLBMAPT
SCHEMBL1222694 0.83 ALOX15 (0.61) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL71193 0.81 MEN1 (0.51) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413998 0.81 KMT2A (0.59) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL18304807 0.79 KMT2A (0.58) ADORA3KMT2APOLBBRD4KDM4E
SCHEMBL18311756 0.78 ADORA3 (0.45) ADORA3HCAR2IDO1BRD4KDM4E
SCHEMBL69492 0.78 MEN1 (0.58) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL29930951 0.77 HSD17B10 (0.60) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL71938 0.77 HSD17B10 (0.60) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL70810 0.77 KMO (0.55) MEN1KMT2APOLBMAPTHCAR2

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
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 — — US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — WO claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 — — US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — WO disclosed
US-4239896-A INTERMEDIATES FOR ANTI-ALLERGY COMPOUNDS E. R. SQUIBB & SONS, INC. (US) 1980-12-16 — — US disclosed
US-4198412-A Pyrazolo [1,5-C] quinazoline derivatives and their use in treating allergic conditions E. R. SQUIBB & SONS, INC. (US) 1980-04-15 — — US disclosed
US-3899508-A 5-(2-Aminophenyl)pyrazole-3-carboxylic acids and esters thereof LILLY CO ELI 1975-08-12 — — US disclosed
US-3899508-A 5-(2-Aminophenyl)pyrazole-3-carboxylic acids and esters thereof LILLY CO ELI 1975-08-12 — — 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 (1 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ADORA3 4461/4885MEN1 4883/4885KMT2A 1389/4885

“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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