SCHEMBL17654089

SCHEMBL17654089

O=[N+]([O-])c1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.34
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
MERTK Q12866 1/20 0.33
GSR P00390 1/20 0.33
TXNRD1 Q16881 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
SCHEMBL3293293 0.85 MAPT (0.39) MAPTGAAALDH1A1TDP1KDM4E
SCHEMBL14596452 0.73 ALDH1A1 (0.42) MAPTGAAALDH1A1TDP1KDM4E
SCHEMBL28803244 0.71 MAPT (0.36) MAPTGAAALDH1A1TDP1KDM4E
SCHEMBL29367162 0.71
SCHEMBL928800 0.69 CASP1 (0.52) MAPTGAATDP1LMNAMEN1
SCHEMBL30386718 0.69 CASP1 (0.52) MAPTGAATDP1LMNAMEN1
SCHEMBL9870304 0.68 MAPT (0.50) MAPTGAAALDH1A1TDP1KDM4E
Ammonia Solution, Strong SCHEMBL25301697 0.68
SCHEMBL873623 0.67 TSHR (0.43) MAPTGAAALDH1A1TDP1KDM4E
SCHEMBL29665710 0.67 TSHR (0.43) MAPTGAAALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013724-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-05-25 US disclosed
US-20190167648-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-06-06 US disclosed
US-10245254-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-04-02 US disclosed
US-20170290815-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-12 US disclosed
US-20170290815-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-12 US disclosed
US-20170290815-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-12 US disclosed
WO-2016054388-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-04-07 WO disclosed
WO-2016054388-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-04-07 WO disclosed
CN-101312977-B Fused heterocyclic compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO 2012-06-13 CN disclosed
CN-101312977-A Fused heterocyclic compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO (US) 2008-11-26 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 (4 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-20170290815-A1 GLUTAMINASE INHIBITORS GLUL, ASNS, GLS MAPT 4492/4885GAA 142/4885ALDH1A1 959/4885
US-10245254-B2 Glutaminase inhibitors GLUL, ASNS, GLS MAPT 4492/4885GAA 142/4885ALDH1A1 959/4885
US-20190167648-A1 GLUTAMINASE INHIBITORS GLUL, ASNS, GLS MAPT 4520/4885GAA 164/4885ALDH1A1 968/4885
US-11013724-B2 Glutaminase inhibitors GLUL, ASNS, GLS MAPT 4520/4885GAA 164/4885ALDH1A1 968/4885

“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.