SCHEMBL15054592

SCHEMBL15054592

O=C(O)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SRD5A2 P31213 1/20 0.47
ACP1 P24666 1/20 0.44
ALOX5 P09917 4/20 0.44
LMNA P02545 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP6 P55212 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CASR P41180 1/20 0.43

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
SCHEMBL91278 1.00 TP53 (0.55) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL30410721 0.86 CYP3A4 (0.52) TP53ALDH1A1MAPTPOLBTDP1
SCHEMBL29944162 0.86 CYP3A4 (0.65) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL232779 0.86 TP53 (0.64) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL132541 0.86 CYP3A4 (0.65) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL2170079 0.85 CYP3A4 (0.50) TP53ALDH1A1MAPTKDM4EPOLB
Hydrochloric Acid SCHEMBL3088495 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL9133420 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB
Hydrochloric Acid SCHEMBL2299193 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL8060267 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB

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-20240115719-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME AJINOMOTO CO., INC. (JP) 2024-04-11 US disclosed
EP-4306535-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED USING SAME AJINOMOTO CO., INC. (JP) 2024-01-17 EP disclosed
EP-3697758-A1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis Inflammasome Research, Inc. (US) 2020-08-26 EP disclosed
WO-2019079119-A1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-04-25 WO disclosed
US-10069082-B2 Organic electroluminescent compounds and organic optoelectronic devices comprising the same Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-09-04 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
WO-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 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 (3 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-20240115719-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME IGLV6-57, SSB, FCGR3B TP53 3726/4885ALDH1A1 4298/4885MAPT 1839/4885
US-10069082-B2 Organic electroluminescent compounds and organic optoelectronic devices comprising the same OR10J3, PPOX, OR51E2 TP53 4141/4885ALDH1A1 625/4885MAPT 923/4885
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME OR10J3, PPOX, OR51E2 TP53 4141/4885ALDH1A1 625/4885MAPT 923/4885

“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.