SCHEMBL7511265

SCHEMBL7511265

NCc1ccccc1NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
MAPK1 P28482 1/20 0.61
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
MDM4 O15151 2/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.56
F11 P03951 2/20 0.56
SUCNR1 Q9BXA5 2/20 0.56
CFD P00746 2/20 0.56
TPSB2 P20231 1/20 0.56
NR1H4 Q96RI1 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
Carbamic Acid SCHEMBL7517546 0.97 HDAC3 (0.57) HDAC3HDAC1HDAC2MAPK1KCNK3
SCHEMBL23230036 0.88 GAA (0.55) HDAC3HDAC1HDAC2MAPK1KCNK3
SCHEMBL28767764 0.87 SUCNR1 (0.58) HDAC3HDAC1HDAC2MAPK1KCNK3
SCHEMBL28242708 0.86 SUCNR1 (0.71) HDAC3HDAC1HDAC2KCNK3KCNK9
SCHEMBL528445 0.84 KCNK3 (0.77) HDAC3HDAC1HDAC2MAPK1KCNK3
SCHEMBL3635005 0.83 ALDH1A1 (0.47) HDAC3HDAC1HDAC2KCNK3KCNK9
SCHEMBL28201120 0.83 KMT2A (0.72) HDAC2KCNK3KCNK9TP53POLB
SCHEMBL27758988 0.83 GAA (0.58) HDAC3HDAC1HDAC2MAPK1NPC1
SCHEMBL27841708 0.83 MAPT (0.48) HDAC3HDAC1HDAC2MAPK1KCNK3
SCHEMBL28746605 0.82 KCNK3 (0.56) KCNK3KCNK9TP53POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473429-A ROR gamma modulators 领先制药控股公司 2018-08-31 CN claimed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN claimed
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 WO disclosed
CN-110218158-A A method of photocatalytic synthesis is at amide compound in water phase 福建医科大学 2019-09-10 CN disclosed
CN-110023302-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2019-07-16 CN disclosed
CN-107628964-B A kind of synthetic method of N- aryl Zhong Fang amide 陕西科技大学 2019-06-21 CN disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
CN-107628964-A A kind of synthetic method of N aryl Zhong Fang acid amides 陕西科技大学 2018-01-26 CN disclosed
CN-105669491-B A kind of acylation method of amine 苏州大学 2017-10-13 CN disclosed
CN-105669491-A Acidylation method of amine 苏州大学 2016-06-15 CN disclosed
CN-100548948-C Metal ligands and improved metal catalytic processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2009-10-14 CN disclosed
CN-100334067-C Purification method for amide and sulfonylamine compound synthesized from liquid phase UNIV ZHEJIANG (CN) 2007-08-29 CN disclosed
CN-1762984-A Purification method for amide and sulfonylamine compound synthesized from liquid phase UNIV ZHEJIANG (CN) 2006-04-26 CN disclosed
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 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 (1 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 HDAC3 1189/4885HDAC1 533/4885HDAC2 813/4885

“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.