SCHEMBL574038

SCHEMBL574038

Cc1c(F)ccc([N+](=O)[O-])c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HIF1A Q16665 2/20 0.48
TSHR P16473 9/20 0.47
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
VCAM1 P19320 1/20 0.46
CASP6 P55212 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
RECQL P46063 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
SCHEMBL29888274 1.00 TDP1 (0.50) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL29788829 0.87 TDP1 (0.56) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL1424697 0.87 TDP1 (0.56) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL1636077 0.86 TDP1 (0.60) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL29902915 0.85 TDP1 (0.54) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL2481319 0.85 TDP1 (0.54) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL3634865 0.83 TSHR (0.55) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL29361654 0.82 TDP1 (0.54) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL57498 0.82 TDP1 (0.54) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL31462805 0.82 TDP1 (0.52) TDP1ATMALDH1A1HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087442-A1 AMINO-IMIDAZOLE ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 EP disclosed
US-12447153-B2 HER2 mutation inhibitors PFIZER INC. (US) 2025-10-21 US disclosed
US-12435128-B2 Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2025-10-07 US disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 US disclosed
US-12275717-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2025-04-15 US disclosed
WO-2024215809-A2 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-10-17 WO disclosed
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2024-10-03 US disclosed
WO-2024175450-A1 SUBSTITUTED S-ALANINATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2024-08-29 WO disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
EP-0028698-B1 QUINOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS Tanabe Seiyaku Co., Ltd. (JP) 1982-12-22 EP disclosed
US-4327101-A Quinoline compound useful as antibacterial agents in warm-blooded animals TANABE SEIKAKU CO., LTD. (JP) 1982-04-27 US disclosed
EP-0028698-A1 Quinoline compounds, process for their preparation, and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1981-05-20 EP disclosed
US-3998642-A Silver halide emulsions with incorporated 4,6-difluorophenolic couplers EASTMAN KODAK COMPANY (US) 1976-12-21 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 (6 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-12275717-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B TDP1 3813/4885ATM 562/4885ALDH1A1 3735/4885
US-12435128-B2 Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 INMT, CARM1, KDM1B TDP1 940/4885ATM 2630/4885ALDH1A1 1178/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS TDP1 510/4885ATM 2023/4885ALDH1A1 1786/4885
US-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR TDP1 2988/4885ATM 1614/4885ALDH1A1 4593/4885
US-12447153-B2 HER2 mutation inhibitors ERBB2, EGFR, ERBB3 TDP1 3283/4885ATM 575/4885ALDH1A1 2320/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 TDP1 1798/4885ATM 42/4885ALDH1A1 1813/4885

“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.