SCHEMBL2140841

SCHEMBL2140841

COC(=O)c1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8421994 0.88 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL17707780 0.84 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL6551228 0.83 TSHR (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL17707772 0.83 CRHBP (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL17707775 0.83 TSHR (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL16957915 0.82 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL7369896 0.82 TSHR (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL2521491 0.82 HPGD (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL27746873 0.82 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL1032670 0.82 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071411-B Method for producing nitrobenzene compound 组合化学工业株式会社 2021-08-27 CN disclosed
EP-3456705-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2020-12-16 EP disclosed
EP-3456705-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND Kumiai Chemical Industry Co., Ltd. (JP) 2019-03-20 EP disclosed
EP-3015451-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-17 EP disclosed
CN-104114557-B 8-substituted 2-amino- [1,2,4] triazolo [1,5-a ] pyrazines as SYK tyrosine kinase inhibitors and GCN2 serine kinase inhibitors 默克专利股份公司 2017-10-24 CN disclosed
CN-103748094-B Tricyclic sulfonamide compounds and methods of making and using the same 扎夫根股份有限公司 2016-06-29 CN disclosed
EP-3015451-A1 METHOD FOR MANUFACTURING NITROBENZENE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2016-05-04 EP disclosed
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
CN-104159901-A Triazolopyrazine derivatives MERCK PATENT GMBH 2014-11-19 CN disclosed
CN-102574814-A Process for preparation of pyrimidinylacetonitrile derivatives and intermediates for synthesis thereof IHARA CHEMICAL IND CO 2012-07-11 CN disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
EP-2443092-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS Pfizer Inc. (US) 2012-04-25 EP disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
WO-2010146488-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER INC. (US) 2010-12-23 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 (1 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B MEN1 4474/4885KMT2A 48/4885SMN1; SMN2 3284/4885

“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.