SCHEMBL6571526

SCHEMBL6571526

N=N/C=N/N(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.43
EIF4H Q15056 1/20 0.43
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL6571528 1.00 ALDH1A1 (0.44) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL8829009 0.72 ALDH1A1 (0.55) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL14423827 0.71 ALDH1A1 (0.48) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL13681260 0.71 ALDH1A1 (0.48) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL9343844 0.71 MEN1 (0.37) ALDH1A1ALOX15USP2POLBMEN1
SCHEMBL987853 0.70 USP2 (0.55) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL987854 0.70 USP2 (0.55) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL8494093 0.70 MAOB (0.44) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL3273188 0.68 ALDH1A1 (0.50) ALDH1A1ALOX15USP2POLBEIF4H
SCHEMBL8653217 0.67 USP2 (0.37) ALDH1A1ALOX15USP2POLBEIF4H

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
US-9901649-B2 Block copolymers for therapeutic drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-02-27 US disclosed
US-20170319704-A1 BLOCK COPOLYMERS FOR THERAPEUTIC DRUG DELIVERY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-09 US disclosed
US-9631050-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-25 US disclosed
US-20160257782-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-09-08 US disclosed
US-8703197-B2 Branched polyamines for delivery of biologically active materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-04-22 US disclosed
US-20140080215-A1 BRANCHED POLYAMINES FOR DELIVERY OF BIOLOGICALLY ACTIVE MATERIALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-03-20 US disclosed
EP-1257542-B1 METHOD FOR PRODUCING 2-(1,2,4-TRIAZOL-1-YL)-ETHANOLS BAYER CROPSCIENCE AG (DE) 2004-12-01 EP 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-20160257782-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES VDR, GC, CYP24A1 ALDH1A1 4827/4885ALOX15 1251/4885USP2 3746/4885
US-20170319704-A1 BLOCK COPOLYMERS FOR THERAPEUTIC DRUG DELIVERY GSS, GSR, GSTP1 ALDH1A1 3549/4885ALOX15 797/4885USP2 620/4885

“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.