SCHEMBL3559324

SCHEMBL3559324

N=C(N)c1cccc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
ADAMTS4 O75173 1/20 0.50
EGFR P00533 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
FYN P06241 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
CA6 P23280 1/20 0.50
CDK2 P24941 1/20 0.50
MMP12 P39900 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
KLK1 P06870 3/20 0.44

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
SCHEMBL7032709 0.83 SELL (0.50) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL652876 0.80 KDM4E (0.58) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL10495291 0.79 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10LMNAALOX15
Hydrochloric Acid SCHEMBL1447901 0.78 KDM4E (0.56) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL1544723 0.77 PLAU (0.55) ALDH1A1HPGDHSD17B10KLK1KLK5
SCHEMBL11097025 0.76 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL424097 0.76 KDM4E (0.67) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL3743759 0.76 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL29552052 0.76 KDM4E (0.67) ALDH1A1HPGDHSD17B10LMNAALOX15
Hydrochloric Acid SCHEMBL21553857 0.76 ALB (0.53) ALDH1A1ALOX15RECQLKLK1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
CN-102993084-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2015-05-20 CN disclosed
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
CN-100567267-C Aramidine derivative, salt thereof, and antifungal agent containing the same TOYAMA CHEMICAL CO LTD (JP) 2009-12-09 CN disclosed
EP-2046732-A1 IMPROVEMENT OF THE BIOAVAILABILITY OF ACTIVE SUBSTANCES HAVING AN AMIDINE FUNCTION IN MEDICAMENTS Dritte Patentportfolio Beteiligungsgesellschaft mbH & Co.KG (DE) 2009-04-15 EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
CN-101166726-A Quinoline and quinoxaline derivatives as inhibitors of kinase enzyme activity CHROMA THERAPEUTICS LTD (GB) 2008-04-23 CN disclosed
WO-2008009264-A1 IMPROVEMENT OF THE BIOAVAILABILITY OF ACTIVE SUBSTANCES HAVING AN AMIDINE FUNCTION IN MEDICAMENTS DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2008-01-24 WO disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 US disclosed
CN-1976901-A Novel arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO LTD (JP) 2007-06-06 CN disclosed
WO-2007027878-A2 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2007-03-08 WO disclosed
US-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 US disclosed
US-5183828-A Ribonucleotide reductase inhibitor and free radical scavenger RIET BARTHOLOMEUS VAN T (US) 1993-02-02 US disclosed
US-4942253-A INHIBITORS OF RIBONUCLEOTIDE REDUCTASE, ANTITUMOR AGENTS, LEUKEMIA, FREE RADICAL SCAVENGERS RIET BARTHOLOMEUS VAN T (US) 1990-07-17 US disclosed
US-4623659-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T (US) 1986-11-18 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 (3 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 ALDH1A1 2065/4885HPGD 527/4885HSD17B10 4234/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 ALDH1A1 2065/4885HPGD 527/4885HSD17B10 4234/4885
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 ALDH1A1 104/4885HPGD 1151/4885HSD17B10 138/4885

“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.