SCHEMBL2323931

SCHEMBL2323931

O=[C]Nc1ccnc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 9/20 0.50
▸ SMARCA4 P51532 8/20 0.50
▸ TRPA1 O75762 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ LOX P28300 1/20 0.38
▸ LOXL3 P58215 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ GRM5 P41594 2/20 0.34
▸ AR P10275 1/20 0.33

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
SCHEMBL7533055 0.74 S1PR2 (0.50) —
SCHEMBL2439650 0.73 LOX (0.44) LOXLOXL2HDAC4
SCHEMBL883720 0.72 — —
SCHEMBL694841 0.72 — —
SCHEMBL30147809 0.72 — —
SCHEMBL30851415 0.72 — —
SCHEMBL9599834 0.72 SMARCA2 (0.86) SMARCA2SMARCA4
SCHEMBL2323933 0.72 SMARCA2 (0.50) SMARCA2SMARCA4TRPA1GRM4RECQL
SCHEMBL2437937 0.72 KDM4E (0.52) —
SCHEMBL2443379 0.72 SMARCA2 (0.51) SMARCA2SMARCA4LOXLOXL2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 — — US disclosed
US-8017612-B2 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) 2011-09-13 — — US disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 — — WO 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 SMARCA2 4188/4885SMARCA4 4332/4885TRPA1 2171/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H SMARCA2 3822/4885SMARCA4 3502/4885TRPA1 1674/4885

“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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