Sugi Predict

Sugi Predict / Compounds / SCHEMBL359879

SCHEMBL359879

SCHEMBL359879

NC(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.73
▸ HDAC1 Q13547 3/20 0.69
▸ HDAC4 P56524 2/20 0.69
▸ HDAC6 Q9UBN7 2/20 0.69
▸ HDAC3 O15379 1/20 0.69
▸ HDAC7 Q8WUI4 1/20 0.69
▸ HDAC2 Q92769 1/20 0.69
▸ HDAC10 Q969S8 1/20 0.69
▸ HDAC11 Q96DB2 1/20 0.69
▸ HDAC8 Q9BY41 1/20 0.69
▸ HDAC9 Q9UKV0 1/20 0.69
▸ HDAC5 Q9UQL6 1/20 0.69
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ GLA P06280 1/20 0.60
▸ PPARG P37231 1/20 0.56
▸ NR2E3 Q9Y5X4 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56
▸ ALOX5 P09917 1/20 0.52

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
SCHEMBL27623934 0.86 KDM4E (0.77) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL373105 0.84 KDM4E (1.00) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL29631004 0.84 KDM4E (1.00) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL9374034 0.83 KDM4E (0.73) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL193466 0.83 KDM4E (0.73) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL7902381 0.82 KDM4E (0.67) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6972046 0.82 HDAC1 (0.77) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL5903774 0.81 HDAC1 (1.00) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL27470048 0.80 KDM4E (0.63) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL3094136 0.79 HDAC6 (0.70) KDM4EHDAC1HDAC4HDAC6HDAC3

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 — — EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 — — US claimed
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
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 — — EP claimed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO claimed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 — — CN claimed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 — — EP disclosed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 — — US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO disclosed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 — — CN 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 (5 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 KDM4E 522/4885HDAC1 162/4885HDAC4 170/4885
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 KDM4E 502/4885HDAC1 205/4885HDAC4 301/4885
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 KDM4E 2131/4885HDAC1 936/4885HDAC4 1478/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDM4E 645/4885HDAC1 96/4885HDAC4 201/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H KDM4E 1378/4885HDAC1 362/4885HDAC4 693/4885

“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.