SCHEMBL6635520

SCHEMBL6635520

CC1CNC(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP3 Q9Y6F1 1/20 0.53
HTR2A P28223 4/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 4/20 0.45
MKNK1 Q9BUB5 1/20 0.45
CDC7 O00311 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PARP1 P09874 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PDPK1 O15530 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
TYMS P04818 1/20 0.40
ACHE P22303 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
PBRM1 Q86U86 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL12220005 1.00 PARP3 (0.53) PARP3HTR2AHTR2CHTR2BMKNK1
SCHEMBL8180143 0.79 MKNK1 (0.44) PARP3MKNK1CDC7CA12CA9
SCHEMBL8178575 0.79 MKNK1 (0.44) PARP3MKNK1CDC7CA12CA9
SCHEMBL21187107 0.77 PARP3 (0.53) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL11750196 0.77 PARP3 (0.61) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL21187216 0.77 PARP3 (0.49) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL21187169 0.77 PARP3 (0.49) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL13361350 0.77 PARP10 (0.47) HTR2AHTR2CHTR2BMKNK1CDC7
SCHEMBL12242052 0.77 PARP10 (0.47) HTR2AHTR2CHTR2BMKNK1CDC7
SCHEMBL8931375 0.77 PARP3 (0.49) PARP3HTR2AHTR2CHTR2BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025089147-A1 HERBICIDAL COMPOSITION 株式会社エス・ディー・エス バイオテック 2025-05-01 WO disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 WO disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
EP-1144409-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-6596730-B1 Phenyl urea and phenyl thiourea derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-22 US disclosed
EP-1144409-A2 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-17 EP disclosed
WO-2000047580-A2 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PARP3 3125/4885HTR2A 93/4885HTR2C 163/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 PARP3 3125/4885HTR2A 93/4885HTR2C 163/4885
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS NAAA, AADAC, NISCH PARP3 4520/4885HTR2A 2476/4885HTR2C 2399/4885

“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.