SCHEMBL2689405

SCHEMBL2689405

CCCc1nc(C)c(C(N)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.43
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 7/20 0.39
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCD O00767 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
LIMK1 P53667 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL9644178 0.84 ALDH1A1 (0.52) ALDH1A1RECQLRXFP1HSP90AA1HPGD
Hydrochloric Acid SCHEMBL9643719 0.82 ALDH1A1 (0.50) ALDH1A1RECQLRXFP1HSP90AA1HPGD
SCHEMBL9643711 0.82 ALDH1A1 (0.39) ALDH1A1RECQLRXFP1HSP90AA1HPGD
SCHEMBL26011296 0.81 LMNA (0.42) IKBKBLMNACYP1A2CYP3A4CYP2C19
SCHEMBL21854187 0.81 LMNA (0.38) IKBKBLMNACYP1A2CYP3A4CYP2C19
SCHEMBL7610795 0.79 ALDH1A1 (0.55) LMNACYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL14206510 0.75 RECQL (0.40) IKBKBCYP1A2ALDH1A1RECQLALOX15
SCHEMBL1477812 0.72 RAB9A (0.47) IKBKBLMNACYP1A2CYP3A4CYP2C19
SCHEMBL20503252 0.72 ALDH1A1 (0.47) ALDH1A1HSP90AA1HPGDTSHRNPC1
SCHEMBL4032013 0.72 KLKB1 (0.56) LMNACYP1A2CYP3A4CYP2C19ALDH1A1

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 6 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 claimed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP claimed
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 claimed
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 IKBKB 173/4885LMNA 2685/4885CYP1A2 827/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H IKBKB 513/4885LMNA 3947/4885CYP1A2 1483/4885

“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.