SCHEMBL993946

SCHEMBL993946

Cc1c(Br)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 4/20 0.41
ATM Q13315 1/20 0.41
P2RY6 Q15077 1/20 0.41
CCR6 P51684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 3/20 0.38
GPR35 Q9HC97 1/20 0.38
MAPT P10636 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL30155391 1.00 CYP1A2 (0.52) CYP1A2TDP1ATMP2RY6CCR6
SCHEMBL4748223 0.86 TDP1 (0.54) CYP1A2TDP1ATMCCR6L3MBTL1
SCHEMBL4019558 0.82 CYP1A2 (0.37) CYP1A2TDP1ATMP2RY6L3MBTL1
SCHEMBL30829764 0.80 TDP1 (0.53) CYP1A2TDP1ATMCCR6L3MBTL1
SCHEMBL10685212 0.80 CYP1A2 (0.55) CYP1A2TDP1ATMCCR6L3MBTL1
SCHEMBL3460888 0.80 TDP1 (0.53) CYP1A2TDP1ATMCCR6L3MBTL1
SCHEMBL2132590 0.80 TDP1 (0.44) CYP1A2TDP1ATMP2RY6L3MBTL1
SCHEMBL29617721 0.80 TDP1 (0.44) CYP1A2TDP1ATMP2RY6L3MBTL1
SCHEMBL22968279 0.80 GPR35 (0.55) CYP1A2TDP1CCR6L3MBTL1MEN1
SCHEMBL629542 0.80 CYP1A2 (0.55) CYP1A2TDP1CCR6ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283659-B Preparation method and application of m-nitrobenzonitrile 上海忝晴化工有限公司 2025-04-25 CN claimed
CN-116283659-A Preparation method and application of m-nitrobenzonitrile 上海忝晴化工有限公司 2023-06-23 CN claimed
US-11673868-B2 Amino pyrimidine derivatives NOVARTIS AG (CH) 2023-06-13 US claimed
US-20220041561-A1 Amino Pyrimidine Derivatives NOVARTIS AG (CH) 2022-02-10 US claimed
US-20260103453-A1 NOVEL PYRIMIDINE DERIVATIVE AS BRUTON'S TYROSINE KINASE INHIBITOR HANMI PHARMACEUTICAL CO LTD (KR) 2026-04-16 US disclosed
US-12545639-B2 3-substituted phenylamidine compounds, preparation and use thereof PI INDUSTRIES LTD. (IN) 2026-02-10 US disclosed
EP-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP disclosed
US-12466813-B2 PRC1 inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-11-11 US disclosed
EP-4606377-A2 NOVEL AMINO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2025-08-27 EP disclosed
EP-4602035-A1 NOVEL PYRIMIDINE DERIVATIVE AS BRUTON'S TYROSINE KINASE INHIBITOR Hanmi Pharm. Co., Ltd. (KR) 2025-08-20 EP disclosed
US-12391681-B2 (R)-3-(3-chloro-5-fluoro-2-((4-(1h-pyrazol-1-yl)-2-methylquinolin-8-yloxy)methyl)phenyl)morpholine derivatives and related compounds as bradykinin (BK) B2 receptor antagonist for treating skin diseases PHARVARIS GMBH (CH) 2025-08-19 US disclosed
EP-4155293-B1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH UNIV MICHIGAN REGENTS (US) 2025-07-30 EP disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (7 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-20220041561-A1 Amino Pyrimidine Derivatives BTK, LCK, JAK1 CYP1A2 3752/4885TDP1 858/4885ATM 181/4885
US-12466813-B2 PRC1 inhibitors and methods of treatment therewith BMI1, EZH2, CBX3 CYP1A2 4618/4885TDP1 2122/4885ATM 2199/4885
US-20260103453-A1 NOVEL PYRIMIDINE DERIVATIVE AS BRUTON'S TYROSINE KINASE INHIBITOR BTK, LYN, LCK CYP1A2 3773/4885TDP1 273/4885ATM 701/4885
US-12545639-B2 3-substituted phenylamidine compounds, preparation and use thereof CBR1, CBR3, HCCS CYP1A2 365/4885TDP1 3645/4885ATM 3098/4885
US-12391681-B2 (R)-3-(3-chloro-5-fluoro-2-((4-(1h-pyrazol-1-yl)-2-methylquinolin-8-yloxy)methyl)phenyl)morpholine derivatives and related compounds as bradykinin (BK) B2 receptor antagonist for treating skin diseases BDKRB2, BDKRB1, BRCA1 CYP1A2 477/4885TDP1 3147/4885ATM 344/4885
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 CYP1A2 2209/4885TDP1 519/4885ATM 356/4885
US-11673868-B2 Amino pyrimidine derivatives BTK, LCK, JAK1 CYP1A2 3847/4885TDP1 941/4885ATM 229/4885

“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.