SCHEMBL7784764

SCHEMBL7784764

Nc1c([N+](=O)[O-])cc(F)c(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 3/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
ATM Q13315 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
SCHEMBL29493797 1.00 ALDH1A1 (0.42) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
Nitrous Acid SCHEMBL28102444 0.92 GRIN2D (0.41) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL10528040 0.87 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1
SCHEMBL4705236 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1
SCHEMBL7734435 0.85 TSHR (0.48) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1
SCHEMBL10351809 0.84 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1
SCHEMBL8375062 0.82 TDP1 (0.50) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL8146477 0.82 TDP1 (0.46) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL1193075 0.82 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1
SCHEMBL29493770 0.82 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
EP-3740478-B1 FUSED IMIDAZOLE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2023-11-01 EP disclosed
CN-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 CN disclosed
EP-4221701-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072491-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 WO 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
EP-0794936-B1 METHOD FOR PREPARING FLUOROANILINES FROM NITROFLUOROBENZENE COMPOUNDS RHODIA CHIMIE SA (FR) 1999-03-17 EP disclosed
EP-0875497-A2 Method for preparing fluoroanilines from nitrofluorobenzene compounds RHODIA CHIMIE (FR) 1998-11-04 EP disclosed
EP-0794936-A1 METHOD FOR PREPARING FLUOROANILINES FROM NITROFLUOROBENZENE COMPOUNDS RHONE-POULENC CHIMIE (FR) 1997-09-17 EP 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
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
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-1996016926-A1 METHOD FOR PREPARING FLUOROANILINES FROM NITROFLUOROBENZENE COMPOUNDS RHONE-POULENC CHIMIE (FR) 1996-06-06 WO 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
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
EP-0430847-A1 Procedure for the preparation of N-cyclopropyl-4-fluoroanilines CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) 1991-06-05 EP 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 (1 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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 ALDH1A1 247/4885MAPT 2694/4885GRIN2D 4071/4885

“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.