SCHEMBL2441007

SCHEMBL2441007

O=[C]CNc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.46
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
LTA4H P09960 1/20 0.44
LMNA P02545 3/20 0.44
NAMPT P43490 2/20 0.43
HIF1A Q16665 1/20 0.43
HPGD P15428 1/20 0.43
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CDK2 P24941 1/20 0.42
FLT4 P35916 1/20 0.42
FDPS P14324 1/20 0.42

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
SCHEMBL7646318 0.81 RAB9A (0.53) RAB9AGAANPC1PKMLTA4H
Hydrochloric Acid SCHEMBL7430895 0.79 GAA (0.53) RAB9AGAANPC1PKMLTA4H
SCHEMBL2103950 0.78
SCHEMBL1355489 0.78
Hydrochloric Acid SCHEMBL28089121 0.76 RAB9A (0.56) RAB9AGAANPC1PKMLTA4H
Hydrochloric Acid SCHEMBL10704335 0.76 RAB9A (0.56) RAB9AGAANPC1PKMLTA4H
SCHEMBL302557 0.74 ALDH1A1 (0.48) LMNA
SCHEMBL3643530 0.74 RAB9A (0.54) RAB9AGAANPC1PKMLTA4H
SCHEMBL1696728 0.74 ALDH1A1 (0.53) RAB9AGAANPC1PKMFDPS
SCHEMBL13212361 0.74 NOTUM (0.51) RAB9ANPC1PKMLMNANAMPT

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 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
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
EP-0993448-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-19 EP disclosed
WO-1998057934-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 WO 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 RAB9A 4538/4885GAA 374/4885NPC1 1316/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H RAB9A 3868/4885GAA 697/4885NPC1 896/4885

“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.