SCHEMBL2690729

SCHEMBL2690729

NC(=O)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
PLAU P00749 1/20 0.63
PARP1 P09874 1/20 0.63
MKNK1 Q9BUB5 4/20 0.60
MKNK2 Q9HBH9 4/20 0.60
MAP4K4 O95819 3/20 0.56
TAAR1 Q96RJ0 1/20 0.55
ALOX5 P09917 1/20 0.52
MAOB P27338 2/20 0.50
GRM5 P41594 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
PDE4B Q07343 1/20 0.49
RORC P51449 1/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL5479593 0.87 PARP1 (0.78) NPC1RAB9APLAUPARP1ALOX5
SCHEMBL10631530 0.85 ALOX5 (0.55) NPC1RAB9APLAUMAP4K4TAAR1
SCHEMBL22367342 0.84 MKNK1 (0.64) PARP1MKNK1MKNK2DHODH
SCHEMBL2040947 0.83 RXRA (0.69) MAP4K4TAAR1ALOX5
SCHEMBL2589651 0.82 ERN1 (0.60) PARP1MKNK1MKNK2DHODH
SCHEMBL5952278 0.82 RXRA (0.68) NPC1RAB9APARP1MKNK1MKNK2
SCHEMBL10799811 0.81 SMN1; SMN2 (0.62) NPC1RAB9APLAUTAAR1ALOX5
SCHEMBL3723969 0.81 PARP1 (0.63) PLAUPARP1MAP4K4RORCDHODH
SCHEMBL2689662 0.80 MAP4K4 (0.72) MKNK1MKNK2MAP4K4IKBKB
SCHEMBL30927156 0.80 MKNK1 (0.60) NPC1RAB9APLAUPARP1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872947-B Benzisothiazole benzamide compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2024-04-19 CN disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP NPC1 1316/4885RAB9A 4538/4885PLAU 542/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H NPC1 896/4885RAB9A 3868/4885PLAU 2663/4885

“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.