SCHEMBL1898099

SCHEMBL1898099

COc1cc(C)c([N+](=O)[O-])cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 7/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40

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
SCHEMBL8062327 0.93 MAPT (0.49) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL14915780 0.86 ALDH1A1 (0.46) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL4103425 0.85 MAPT (0.49) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL3294994 0.85 ALDH1A1 (0.59) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL29738113 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL2944676 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL31077653 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL2911207 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL20511707 0.82 ALDH1A1 (0.46) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL30267712 0.82 ALDH1A1 (0.46) ALDH1A1TDP1MAPTCYP3A4KDM4E

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4650351-A1 INHIBITOR OF COMPLEMENT FACTOR B Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2025-11-19 EP disclosed
CN-120717897-A Synthesis method of aromatic intermediate 1-bromo-2-methoxy-4-methyl-5-nitrobenzene 常州大学 2025-09-30 CN disclosed
CN-120717897-A Synthesis method of aromatic intermediate 1-bromo-2-methoxy-4-methyl-5-nitrobenzene 常州大学 2025-09-30 CN disclosed
EP-4523755-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS F. Hoffmann-La Roche AG (CH) 2025-03-19 EP disclosed
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
EP-4360713-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2024-10-30 EP disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
WO-2024149261-A1 INHIBITOR OF COMPLEMENT FACTOR B 南京正大天晴制药有限公司 2024-07-18 WO disclosed
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN disclosed
WO-2024099458-A1 PIPERIDINE-SUBSTITUTED BENZOIC ACID COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海医药工业研究院有限公司 2024-05-16 WO disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 US disclosed
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2699576-A1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL - COA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2014-02-26 EP disclosed
WO-2012143813-A1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL - COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-26 WO disclosed
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-25 US disclosed
CN-102718692-A Preparation method of 7-bit methyl-5-bit oxygen-substituted indole compounds SUZHOU HEJIAN MEDICAL TECHNOLOGY CO LTD 2012-10-10 CN disclosed
US-20120238018-A1 Caged Ceramide-1-Phosphate Derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2012-09-20 US disclosed
WO-2011056599-A2 CAGED CERAMIDE-1-PHOSPHATE DERIVATIVES RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2011-05-12 WO disclosed
WO-2011056599-A2 CAGED CERAMIDE-1-PHOSPHATE DERIVATIVES RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2011-05-12 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 (5 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-20120238018-A1 Caged Ceramide-1-Phosphate Derivatives CERT1, SGMS1, CERS2 ALDH1A1 3676/4885TDP1 2653/4885MAPT 2333/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 3870/4885TDP1 3784/4885MAPT 229/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885TDP1 2228/4885MAPT 761/4885
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ALDH1A1 105/4885TDP1 4275/4885MAPT 1315/4885
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ALDH1A1 105/4885TDP1 4275/4885MAPT 1315/4885

“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.