SCHEMBL7786706

SCHEMBL7786706

CCc1cc(Cl)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
PGK1 P00558 1/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
VCAM1 P19320 10/20 0.45
PDK1 Q15118 1/20 0.41
GRIA2 P42262 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1425442 0.92 ALDH1A1 (0.50) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL12658937 0.88 PDK1 (0.45) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL10979430 0.87 ALDH1A1 (0.51) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL11127500 0.86 PDK1 (0.46) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL14928472 0.85 TSHR (0.42) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL18138428 0.84 TSHR (0.47) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL305309 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL9180125 0.82 TSHR (0.62) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL5468154 0.82 TSHR (0.46) ALDH1A1CYP3A4PGK1TSHRMAPK1
SCHEMBL17533446 0.81 TSHR (0.42) ALDH1A1CYP3A4PGK1TSHRMAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188083-A1 Modulators of Histone Acetyltransferase 1 and Methods of Treatment Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-06-12 US disclosed
WO-2022272313-A1 MODULATORS OF HISTONE ACETYLTRANSFERASE 1 AND METHODS OF TREATMENT THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 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
US-4532350-A Process for the selective preparation of meta-chloroanilines RHONE-POULENC AGROCHIMIE (FR) 1985-07-30 US disclosed
US-4418213-A HYDRODEHALOGENATION LEWIS ACID AND NOBLE METAL CATALYSTS RHONE-POULENC AGROCHIMIE (FR) 1983-11-29 US disclosed
US-4351959-A Process for preparation of anilines substituted by chlorine in the meta-position RHONE-POULENC AGROCHIMIE (FR) 1982-09-28 US disclosed
US-4340759-A Process for the preparation of anilines substituted by chlorine in the meta-position RHONE-POULENC AGROCHIMIE (FR) 1982-07-20 US disclosed
US-4324914-A Process for preparation of anilines substituted by chlorine in the meta-position RHONE-POULENC AGROCHIMIE (FR) 1982-04-13 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 (2 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-20250188083-A1 Modulators of Histone Acetyltransferase 1 and Methods of Treatment Thereof EP300, HDAC1, NAT1 ALDH1A1 730/4885CYP3A4 4395/4885PGK1 915/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ALDH1A1 43/4885CYP3A4 3/4885PGK1 361/4885

“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.