SCHEMBL851358

SCHEMBL851358

NC(=O)c1cnc2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
HSD17B10 Q99714 1/20 0.69
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
PTK2 Q05397 1/20 0.56
TGFBR1 P36897 1/20 0.50

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
SCHEMBL29540343 1.00 ALDH1A1 (0.69) ALDH1A1HPGDALOX15HSD17B10RAB9A
Hydrochloric Acid SCHEMBL29488564 0.98 ALDH1A1 (0.67) ALDH1A1HPGDALOX15HSD17B10RAB9A
Trifluoroacetic Acid SCHEMBL5480884 0.88 ALDH1A1 (0.60) ALDH1A1HPGDALOX15HSD17B10RAB9A
Trifluoroacetic Acid SCHEMBL30643070 0.88 ALDH1A1 (0.60) ALDH1A1HPGDALOX15HSD17B10RAB9A
Cinnoline SCHEMBL5471704 0.84 ALDH1A1 (0.51) ALDH1A1HPGDALOX15HSD17B10RAB9A
SCHEMBL27347353 0.83 ALDH1A1 (0.74) ALDH1A1HPGDALOX15HSD17B10RAB9A
SCHEMBL354679 0.82 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10RAB9A
SCHEMBL5358823 0.82 ALDH1A1 (0.71) ALDH1A1HPGDALOX15HSD17B10RAB9A
SCHEMBL29623278 0.82 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10RAB9A
SCHEMBL3518633 0.81 ALDH1A1 (0.65) ALDH1A1HPGDALOX15HSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3384007-B1 IMPROVED METHODS FOR REPROGRAMING NON-PLURIPOTENT CELLS INTO PLURIPOTENT STEM CELLS BEIHAO STEM CELL AND REGENERATIVE MEDICINE RES INSTITUTE CO LTD (CN) 2024-03-27 EP claimed
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN claimed
EP-3019596-B1 COMPOSITIONS AND METHODS FOR REPROGRAMING NON- PLURIPOTENT CELLS INTO PLURIPOTENT STEM CELLS HONG GUAN LTD (CN) 2023-07-05 EP claimed
CN-116256450-A Method for distinguishing acerola cherry fruit powder from acerola cherry juice powder and screening method of characteristic markers of acerola cherry fruit powder 中国农业科学院农业质量标准与检测技术研究所 2023-06-13 CN claimed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US claimed
EP-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP claimed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP claimed
WO-2022249113-A1 NOVEL COMPOUND INHIBITING BINDING BETWEEN AIMP2-DX2 AND KRAS, AND USE THEREOF 주식회사 자이메디 2022-12-01 WO claimed
CN-110698418-B 3-arylamino quinoxaline-2-formamide derivative and preparation method and application thereof 广西师范大学 2022-07-01 CN claimed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 US claimed
CN-1789246-A Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMA INC (US) 2006-06-21 CN claimed
CN-1590378-A Quinoxaline derivative and preparation method and application thereof SHANGHAI INST MATERIA MEDICA (CN) 2005-03-09 CN claimed
CN-1554649-A Metabotropic glutamate receptor antagonists for treating central nervous system diseases NPSҩ�����޹�˾ 2004-12-15 CN claimed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP claimed
US-6642347-B1 Bismaleimide polymerization initiators; increasing toughness of thermosets THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-11-04 US claimed
JP-2003507328-A 2003-02-25 JP claimed
CN-1361768-A Metabotropic glutamate receptor antagonists and their use for treating central nervous system disorders NPS PHARMA INC (US) 2002-07-31 CN claimed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
CN-1285820-A Metabotropic glutamate receptor antagonists for the treatment of central nervous system disorders NPS PHARMA INC (US) 2001-02-28 CN claimed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO claimed

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-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF ACE, REN, ACE2 ALDH1A1 1463/4885HPGD 1068/4885ALOX15 720/4885
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS ALDH1A1 2113/4885HPGD 1413/4885ALOX15 796/4885

“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.