SCHEMBL601789

SCHEMBL601789

Cc1cc(F)c([N+](=O)[O-])cc1Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESPL1 Q14674 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
VCAM1 P19320 1/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
CTSB P07858 1/20 0.39
GPR35 Q9HC97 2/20 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
SCHEMBL29739513 1.00 CYP1A2 (0.47) CYP1A2ATMTDP1ESPL1ALDH1A1
SCHEMBL29399641 0.92 CYP1A2 (0.52) CYP1A2ATMTDP1ESPL1ALDH1A1
SCHEMBL1770875 0.92 CYP1A2 (0.52) CYP1A2ATMTDP1ESPL1ALDH1A1
SCHEMBL451039 0.85 CYP1A2 (0.47) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL12593915 0.84 TDP1 (0.52) CYP1A2ATMTDP1ESPL1ALDH1A1
SCHEMBL18905090 0.84 TDP1 (0.52) CYP1A2ATMTDP1ESPL1ALDH1A1
SCHEMBL7335 0.82 ATM (0.55) CYP1A2ATMTDP1ESPL1ALDH1A1
SCHEMBL1198631 0.82 CYP1A2 (0.52) CYP1A2TDP1ALDH1A1MAPTMEN1
SCHEMBL397387 0.82 ATM (0.50) CYP1A2ATMTDP1ESPL1ALDH1A1
SCHEMBL187542 0.82 TDP1 (0.50) CYP1A2ATMTDP1ESPL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-10-28 US disclosed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 US disclosed
EP-4598927-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics Inc. (US) 2025-08-13 EP disclosed
US-20250214971-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2025-07-03 US disclosed
CN-116113627-B Ji Yin-dole glucocorticoid receptor antagonists 科赛普特治疗公司 2025-06-03 CN disclosed
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2025-04-01 US disclosed
CN-119424423-A 4-Aminobut-2-enamide derivatives and salts thereof 大鹏药品工业株式会社 2025-02-14 CN disclosed
US-12187723-B2 Substituted benzimidazolone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-07 US disclosed
US-20060079683-A1 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 US disclosed
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent H. LUNDBECK A/S 2006-04-13 US disclosed
US-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S 2006-04-13 US disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
EP-0732942-A4 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS COCENSYS INC (US) 2000-03-22 EP disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS 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) 1997-05-20 US disclosed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP disclosed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 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 (9 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-12187723-B2 Substituted benzimidazolone compounds TLR7, TLR1, TLR9 CYP1A2 2476/4885ATM 688/4885TDP1 1768/4885
US-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R CYP1A2 649/4885ATM 3510/4885TDP1 1075/4885
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 CYP1A2 4432/4885ATM 3350/4885TDP1 3050/4885
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent MCHR1, MTNR1A, MTNR1B CYP1A2 709/4885ATM 4400/4885TDP1 1439/4885
US-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 CYP1A2 146/4885ATM 3418/4885TDP1 4627/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 CYP1A2 530/4885ATM 3824/4885TDP1 903/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR CYP1A2 563/4885ATM 991/4885TDP1 1403/4885
US-20250214971-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CYP1A2 203/4885ATM 3877/4885TDP1 3955/4885
US-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof MLLT1, WDR77, MLLT3 CYP1A2 1799/4885ATM 2397/4885TDP1 2719/4885

“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.