SCHEMBL240941

SCHEMBL240941

Nc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 2/20 0.47
CTSB P07858 1/20 0.46
MAPT P10636 7/20 0.46
TDP1 Q9NUW8 5/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 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
SCHEMBL1192875 0.92 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBMAPTTDP1
SCHEMBL351739 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBMAPTTDP1
SCHEMBL564506 0.84 TDP1 (0.52) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL199359 0.84 MAPT (0.52) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL29665784 0.84 MAPT (0.52) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL7653551 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBMAPTTDP1
SCHEMBL30110723 0.84 TDP1 (0.52) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL8095561 0.82 MAPT (0.50) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL11550471 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4CTSBMAPTTDP1
SCHEMBL13609636 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4CTSBMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746965-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 EP disclosed
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 US disclosed
EP-4642773-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
EP-4642535-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 US disclosed
WO-2025052129-A1 PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. NRG THERAPEUTICS LTD (GB) 2025-03-13 WO disclosed
CN-115490708-B Sulfonamide macrocyclic derivative, preparation method and application thereof 苏州亚盛药业有限公司 2025-01-24 CN disclosed
WO-2025017041-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed
US-7125877-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-10-24 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 US disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 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-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR7 ALDH1A1 1720/4885CYP3A4 4671/4885CTSB 1683/4885
US-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 ALDH1A1 1636/4885CYP3A4 1862/4885CTSB 3443/4885
US-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR ALDH1A1 4593/4885CYP3A4 2427/4885CTSB 1980/4885

“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.