SCHEMBL1591435

SCHEMBL1591435

CC(C)N(C(=O)c1cccnc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
APP P05067 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
HTT P42858 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 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
Hydrochloric Acid SCHEMBL28042957 0.98 TP53 (0.55) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL6029641 0.84 HSD17B10 (0.55) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL28375786 0.83 F7 (0.53) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL6030378 0.80 HTT (0.58) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL14857135 0.80 HTT (0.62) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL161322 0.79 ALDH1A1 (0.59) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL31699264 0.79 ALDH1A1 (0.59) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL12339307 0.79 ALDH1A1 (0.50) TP53TSHRHSD17B10USP2ALOX15
SCHEMBL93651 0.78 ALDH1A1 (0.57) TP53TSHRHSD17B10USP2ALOX15
Hydrochloric Acid SCHEMBL7835171 0.78 ALDH1A1 (0.57) TP53TSHRHSD17B10USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114258392-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-03-29 CN disclosed
US-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 US disclosed
US-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 US disclosed
US-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 US disclosed
EP-2240449-B1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NAT RECH SCIENT (FR) 2016-01-06 EP disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 US disclosed
EP-2948429-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (Institut National des Sciences Appliquees) de Rouen (FR) 2015-12-02 EP disclosed
WO-2014114742-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUÉES) DE ROUEN (FR) 2014-07-31 WO disclosed
WO-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
WO-2009101345-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2009-08-20 WO disclosed
US-20090036685-A1 Process for Producing Imidazothiazole Derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2009-02-05 US disclosed
EP-1908766-A1 PROCESS FOR PRODUCTION OF IMIDAZOTHIAZOLE DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2008-04-09 EP disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 WO disclosed
EP-0347831-B1 Pyridine derivatives and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1996-12-11 EP disclosed
US-4971964-A INHIBITORS OF THROMBOXANE SYNTHASE, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORU AGENTS, CANCER KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-11-20 US disclosed
EP-0347831-A2 Pyridine derivatives and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 EP 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 (4 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-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS CBR3, CBR1, CYB5R3 TP53 3341/4885TSHR 517/4885HSD17B10 983/4885
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 TP53 350/4885TSHR 3523/4885HSD17B10 3334/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TP53 4383/4885TSHR 131/4885HSD17B10 2647/4885
US-20090036685-A1 Process for Producing Imidazothiazole Derivatives NAMPT, NAPRT, NNT TP53 4881/4885TSHR 4194/4885HSD17B10 616/4885

“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.