SCHEMBL417962

SCHEMBL417962

O=c1[nH]c2ccccc2cc1F.O=c1cc[nH]c(=O)n1Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.37
BRD4 O60885 1/20 0.37
DDO Q99489 1/20 0.37
KDR P35968 2/20 0.35
CHEK1 O14757 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ERCC1 P07992 1/20 0.34
DNASE1 P24855 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL4445914 0.79 CYP1A2 (0.44) LMNAERCC1DNASE1FEN1ERCC4
SCHEMBL10617 0.75 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL29370120 0.75 DAO (0.60) DAOBRD4DDOKDRCHEK1
Hydrochloric Acid SCHEMBL6506378 0.73 DAO (0.58) DAOBRD4DDOKDRCHEK1
SCHEMBL27818462 0.73 DAO (0.58) DAOBRD4DDOKDRCHEK1
Formaldehyde SCHEMBL28001667 0.72 DAO (0.56) DAOBRD4DDOKDRCHEK1
Pyrrole SCHEMBL28035663 0.71 BRD4 (0.51) DAOBRD4DDOKDRCHEK1
Acetic Acid SCHEMBL28431508 0.70 DAO (0.54) DAOBRD4DDOKDRCHEK1
SCHEMBL27684263 0.69 BRD4 (0.53) DAOBRD4DDOKDRCHEK1
SCHEMBL28589648 0.68 KDR (0.53) DAOBRD4DDOKDRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413974-B1 CONJUGATED ANTIMICROBIAL AGENTS TECHNION RES & DEV FOUNDATION (IL) 2016-03-23 EP disclosed
US-9149536-B2 Conjugated antimicrobial agents TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2015-10-06 US disclosed
US-20140357591-A1 CONJUGATED ANTIMICROBIAL AGENTS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-12-04 US disclosed
US-8809286-B2 Conjugated antimicrobial agents TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-08-19 US disclosed
EP-2413974-A1 CONJUGATED ANTIMICROBIAL AGENTS Technion Research & Development Foundation Ltd. (IL) 2012-02-08 EP disclosed
US-20120018334-A1 CONJUGATED ANTIMICROBIAL AGENTS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2012-01-26 US disclosed
WO-2010113151-A1 CONJUGATED ANTIMICROBIAL AGENTS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-10-07 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 (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-20140357591-A1 CONJUGATED ANTIMICROBIAL AGENTS OGT, IMMT, DNTT DAO 1028/4885BRD4 3403/4885DDO 1072/4885
US-20120018334-A1 CONJUGATED ANTIMICROBIAL AGENTS OGT, IMMT, DNTT DAO 1028/4885BRD4 3403/4885DDO 1072/4885

“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.