SCHEMBL16306796

SCHEMBL16306796

O=[N+]([O-])c1ccc(NCO)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 3/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GLA P06280 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PTPRF P10586 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
HPGD P15428 2/20 0.52
ALOX12 P18054 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL1024700 0.84 MAPT (0.61) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL4955548 0.83 MAPT (0.70) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL9003269 0.83 MAPT (0.70) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL11022003 0.82 MAPT (0.59) MAPTMEN1KMT2AALDH1A1GLA
Ammonia Solution, Strong SCHEMBL27496286 0.82 ABCG2 (0.61) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL1126414 0.82 MAPT (0.59) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL9820311 0.81 ALDH1A1 (0.65) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL3989574 0.81 ESR1 (0.67) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL28122216 0.81 MAPT (0.58) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL28935012 0.81 MAPT (0.62) MAPTMEN1KMT2AALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093330-B Preparation method of p-phenylenediamine 中化环境科技工程有限公司 2024-05-07 CN disclosed
CN-117466749-A Method for preparing aromatic diamine from aromatic nitro compound 宁夏信广和新材料科技有限公司 2024-01-30 CN disclosed
CN-115093330-A Preparation method of p-phenylenediamine 中化环境科技工程有限公司 2022-09-23 CN disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 US disclosed
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 US 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-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL MAPT 3123/4885MEN1 1027/4885KMT2A 850/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL MAPT 4290/4885MEN1 1270/4885KMT2A 533/4885

“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.