SCHEMBL56638

SCHEMBL56638

N#Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.56
ALDH1A1 P00352 6/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
CUL4A Q13619 1/20 0.46
POLB P06746 1/20 0.46
PIN1 Q13526 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GRIA1 P42261 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA3 P42263 2/20 0.44
GRIA4 P48058 2/20 0.44
GRM6 O15303 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL29382907 1.00 VCAM1 (0.56) VCAM1ALDH1A1HPGDHSD17B10TDP1
Selenium SCHEMBL9501261 0.98 VCAM1 (0.55) VCAM1ALDH1A1HPGDHSD17B10TDP1
Phenol SCHEMBL28138934 0.89 VCAM1 (0.47) VCAM1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL10337977 0.84 ALDH1A1 (0.53) VCAM1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL2235640 0.82 VCAM1 (0.49) VCAM1ALDH1A1HPGDPIN1MAPT
SCHEMBL12286918 0.82 HSD17B10 (0.52) ALDH1A1HPGDHSD17B10TDP1MEN1
SCHEMBL30694393 0.82 VCAM1 (0.47) VCAM1ALDH1A1HPGDTDP1POLB
SCHEMBL622040 0.82 GPR35 (0.53) VCAM1ALDH1A1HPGDTDP1CUL4A
SCHEMBL220318 0.82 VCAM1 (0.47) VCAM1ALDH1A1HPGDTDP1POLB
SCHEMBL27715362 0.81 S100A4 (0.53) VCAM1ALDH1A1HPGDHSD17B10TDP1

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 1132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4353715-B1 6-SUBSTITUTED CHIRALLY PURE DIFLUOROPIPERIDINE QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR WEISHANG SHANGHAI BIO PHARMACEUTICAL CO LTD (CN) 2026-04-15 EP claimed
CN-120079375-A Catalyst for synthesizing p-aminobenzonitrile and preparation method and application thereof 濮阳市欧亚化工科技有限公司 2025-06-03 CN claimed
US-20250092015-A1 A 6-substituted Chiral Pure Difluoropiperidine Quinazoline Derivative And Its Preparation Method WEISHANG (SHANGHAI) BIO-PHARMACEUTICAL CO., LTD. (CN) 2025-03-20 US claimed
CN-119143695-A Preparation method and application of pyrene fluorescent probe for detecting copper ions and picric acid in series 哈尔滨理工大学 2024-12-17 CN claimed
EP-4402478-A1 METHOD FOR DETERMINING AT LEAST ONE ANALYTE OF INTEREST F. Hoffmann-La Roche AG (CH) 2024-07-24 EP claimed
US-20240219401-A1 METHOD FOR DETERMINING AT LEAST ONE ANALYTE OF INTEREST ROCHE DIAGNOSTICS OPERATIONS, INC. 2024-07-04 US claimed
CN-117957447-A Method for determining at least one analyte of interest 豪夫迈·罗氏有限公司 2024-04-30 CN claimed
EP-4353715-A1 6-SUBSTITUTED CHIRALLY PURE DIFLUOROPIPERIDINE QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR WEISHANG (SHANGHAI) BIO-PHARMACEUTICAL CO., LTD. (CN) 2024-04-17 EP claimed
WO-2024016783-A1 6-SUBSTITUTED CHIRALLY PURE DIFLUOROPIPERIDINE QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR 威尚(上海)生物医药有限公司 2024-01-25 WO claimed
CN-115260153-B 6-substituted chiral pure difluoropiperidine quinazoline derivative and preparation method thereof 威尚(上海)生物医药有限公司 2023-10-27 CN claimed
EP-0097592-B1 PROCESS FOR CATALYTICALLY REDUCING NITROAROMATIC COMPOUNDS Montedison S.p.A. (IT) 1986-12-10 EP claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP claimed
US-4541962-A Preparation of 4-(3-cyano-4-nitrophenyl)phenols ETHYL CORPORATION (US) 1985-09-17 US claimed
US-4535162-A USING GROUP 8 METAL COORDINATION CATALYSTS MONTEDISON S.P.A. (IT) 1985-08-13 US claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
EP-0097592-A2 Process for catalytically reducing nitroaromatic compounds Montedison S.p.A. (IT) 1984-01-04 EP claimed
EP-0091383-A1 Process for the catalytic reduction of nitro-aromatic compounds Montedison S.p.A. (IT) 1983-10-12 EP claimed
US-4343871-A GROUP IA METAL ANODE AND CATHODE FORMED OF ORGANIC COMPOUND HAVINGPI-ELECTRON CONJUGATED SYSTEM NIPPON TELEGRAPH & TELEPHONE PUBLIC CORPORATION (JP) 1982-08-10 US claimed
US-4151165-A USING AN AROMATIC NITRO COMPOUND IN OXYGEN-FREE, AQUEOUS ENVIRONMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-04-24 US claimed
US-3979431-A Process for preparing nitroaromatic nitriles CHEVRON RESEARCH COMPANY (US) 1976-09-07 US claimed

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-20250092015-A1 A 6-substituted Chiral Pure Difluoropiperidine Quinazoline Derivative And Its Preparation Method CYP2D6, QDPR, FDPS VCAM1 4579/4885ALDH1A1 1199/4885HPGD 1482/4885

“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.