SCHEMBL535172

SCHEMBL535172

O=Cc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
PRKDC P78527 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ERN1 O75460 3/20 0.49
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.41
VCP P55072 1/20 0.40
MAPK1 P28482 2/20 0.40
XDH P47989 1/20 0.40
HIF1A Q16665 1/20 0.39
CTSB P07858 1/20 0.38
VCAM1 P19320 1/20 0.37

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
SCHEMBL1999504 0.95 MAPT (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL29502289 0.95 MAPT (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL30412897 0.86 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL1094404 0.84 ALDH1A1 (0.56) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2721914 0.81 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL7335 0.80 ATM (0.55) ALDH1A1MAPTCYP3A4ATMTDP1
SCHEMBL29663529 0.80 ATM (0.55) ALDH1A1MAPTCYP3A4ATMTDP1
SCHEMBL30598678 0.80 MAPT (0.53) ALDH1A1MAPTCYP3A4ALOX15ATM
SCHEMBL4397890 0.80 MAPT (0.53) ALDH1A1MAPTCYP3A4ALOX15ATM
SCHEMBL17785642 0.80 ERN1 (0.47) ALDH1A1MAPTCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed
CN-119101045-A Nitrogen-containing heterocyclic compounds, and preparation method and application thereof 上海宇道生物技术有限公司 2024-12-10 CN disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
EP-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO disclosed
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
CN-107344931-B Benzazepine derivative, preparation method thereof, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2020-09-15 CN disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2020-04-23 US disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 WO disclosed
CN-101072781-A Macrocyclic quinazoline derivatives and their use as mtki JANSSEN PHARMACEUTICA NV (BE) 2007-11-14 CN disclosed
EP-1828201-A2 MACROCYCLIC QUINAZOLINE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-05 EP disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
CN-1794996-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV (BE) 2006-06-28 CN disclosed
WO-2006061417-A2 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 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 (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-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 ALDH1A1 2648/4885MAPT 4756/4885CYP3A4 112/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 ALDH1A1 4139/4885MAPT 1187/4885CYP3A4 2407/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 ALDH1A1 4081/4885MAPT 1012/4885CYP3A4 2388/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 ALDH1A1 2784/4885MAPT 4779/4885CYP3A4 125/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 ALDH1A1 2837/4885MAPT 4056/4885CYP3A4 582/4885
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 ALDH1A1 2444/4885MAPT 4119/4885CYP3A4 4413/4885

“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.