SCHEMBL438752

SCHEMBL438752

O=C1NC(=O)c2cc([N+](=O)[O-])c(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAOA P21397 4/20 0.46
MAOB P27338 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.44
PPOX P50336 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PKM P14618 1/20 0.41
GSK3B P49841 3/20 0.41
GSK3A P49840 2/20 0.41
VCAM1 P19320 4/20 0.41
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.39
GMNN O75496 1/20 0.39
CCNB2 O95067 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL786237 1.00 CYP3A4 (0.50) CYP3A4TDP1MAOAMAOBTSHR
SCHEMBL29835178 1.00 CYP3A4 (0.50) CYP3A4TDP1MAOAMAOBTSHR
SCHEMBL28012095 0.98 CYP3A4 (0.49) CYP3A4TDP1MAOAMAOBTSHR
SCHEMBL772678 0.86 CYP3A4 (0.59) CYP3A4TDP1MAOAMAOBTSHR
SCHEMBL11657285 0.81 ALDH1A1 (0.50) CYP3A4TDP1TSHRMAPK1ALDH1A1
SCHEMBL8872707 0.79 CES1 (0.62) CYP3A4MAOAMAOBTSHRMAPK1
SCHEMBL3870583 0.78 TDP1 (0.52) CYP3A4TDP1MAOAMAOBTSHR
SCHEMBL441605 0.78 CA12 (0.47) CYP3A4TSHRMAPK1ALDH1A1CA12
SCHEMBL3980207 0.77 TSHR (0.54) CYP3A4TDP1TSHRMAPK1ALDH1A1
SCHEMBL8199562 0.77 MAPK1 (0.46) CYP3A4TDP1TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165232-A Conjugated polymer based on isoindole-1, 3-dione [5,6] triazole and synthetic method and application thereof 河北大学 2024-06-11 CN claimed
CN-117567287-A Synthesis method of 2, 4-dichloro-5-nitrobenzoic acid 扬州市荣晶新材料科技有限公司 2024-02-20 CN claimed
EP-1354605-B1 Deodorizer comprising a metallophthalocyanine ORIENT CHEMICAL IND (JP) 2009-05-06 EP claimed
US-5883245-A REMOVAL OF ALDEHYDE, AMINE AND SULFUR ORDORS WITH PHTHALOCYANINES ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US claimed
EP-0834325-A2 Deodorizer comprising a metallophthalocyanine and process for preparing metallophthalocyanine ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-08 EP claimed
US-20250205374-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE UNIVERSITY OF COPENHAGEN (DK) 2025-06-26 US disclosed
EP-4520751-A1 METHOD FOR RAPID OXIDATION OF DIHYDROPYRIDAZINES TO PYRIDAZINES University of Copenhagen (DK) 2025-03-12 EP disclosed
EP-4490136-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE University of Copenhagen (DK) 2025-01-15 EP disclosed
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 CN disclosed
CN-118165232-A Conjugated polymer based on isoindole-1, 3-dione [5,6] triazole and synthetic method and application thereof 河北大学 2024-06-11 CN disclosed
CN-117567287-A Synthesis method of 2, 4-dichloro-5-nitrobenzoic acid 扬州市荣晶新材料科技有限公司 2024-02-20 CN disclosed
CN-1314350-A Preparation method of benzimidazole-5, 6-dicarboxylic acid UNIV TIANJIN (CN) 2001-09-26 CN disclosed
US-5883245-A REMOVAL OF ALDEHYDE, AMINE AND SULFUR ORDORS WITH PHTHALOCYANINES ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5739319-A WATERPROOF DYES ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-14 US disclosed
EP-0834325-A2 Deodorizer comprising a metallophthalocyanine and process for preparing metallophthalocyanine ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-08 EP disclosed
EP-0684512-B1 Photographic elements containing release compounds EASTMAN KODAK CO (US) 1997-12-17 EP disclosed
EP-0763539-A2 Novel phthalocyanine or naphthalocyanine derivative ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-19 EP disclosed
US-5567577-A COMPRISING A BLOCKING GROUP FROM WHICH THE PHOTOGRAPHICALLY ACTIVE MOIETY IS RELEASED, A BALLASTING GROUP AND AN AQUEOUS SOLUBILIZING GROUP EASTMAN KODAK COMPANY (US) 1996-10-22 US disclosed
EP-0684512-A1 Photographic elements containing release compounds EASTMAN KODAK COMPANY (US) 1995-11-29 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 (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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 CYP3A4 3904/4885TDP1 874/4885MAOA 1493/4885
US-20250205374-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE ALDH3A1, SQLE, DUOX1 CYP3A4 544/4885TDP1 2846/4885MAOA 1942/4885

“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.