SCHEMBL1615014

SCHEMBL1615014

O=C(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.69
CES1 P23141 4/20 0.59
ALDH1A1 P00352 3/20 0.58
CTSD P07339 1/20 0.54
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL10613860 0.90 ALDH1A1 (0.68) CES2ALDH1A1CTSDGAAMAPT
SCHEMBL6005636 0.86 CES2 (0.57) CES2CES1ALDH1A1CTSDGAA
SCHEMBL10613868 0.86 CES2 (0.57) CES2CES1ALDH1A1CTSDGAA
SCHEMBL27888982 0.85 TSHR (0.69) CES2CES1ALDH1A1TDP1TSHR
SCHEMBL15180828 0.85 ALDH1A1 (0.61) CES2ALDH1A1CTSDGAAMAPT
SCHEMBL1694617 0.85 ALDH1A1 (0.61) CES2ALDH1A1CTSDGAAMAPT
SCHEMBL8108987 0.83 CES2 (0.51) CES2CES1ALDH1A1GAAMAPT
SCHEMBL411359 0.83 ALDH1A1 (0.59) ALDH1A1CTSDGAAMAPTTDP1
SCHEMBL27637513 0.83 ALDH1A1 (0.59) ALDH1A1CTSDGAAMAPTTDP1
SCHEMBL9764926 0.82 ALDH1A1 (0.63) ALDH1A1CTSDGAAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 US claimed
US-12566376-B2 Resist composition and resist pattern forming method TOKYO OHKA KOGYO CO., LTD. (JP) 2026-03-03 US disclosed
US-20240147766-A1 METHOD OF MANUFACTURING DISPLAY DEVICE AND DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2024-05-02 US disclosed
US-11905361-B2 Base proliferating agent, and base-reactive resin composition containing said base proliferating agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-02-20 US disclosed
US-20230205084-A1 RESIST COMPOSITION AND RESIST PATTERN FORMING METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2023-06-29 US disclosed
US-20220332886-A1 Base Proliferating Agent, and Base-Reactive Resin Composition Containing Said Base Proliferating Agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-10-20 US disclosed
US-11401370-B2 Base proliferating agent, and base-reactive resin composition containing said base proliferating agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-08-02 US disclosed
US-20200407487-A1 Base Proliferating Agent, and Base-Reactive Resin Composition Containing Said Base Proliferating Agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-12-31 US disclosed
EP-0700376-A4 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LTD (NZ) 1996-05-22 EP disclosed
EP-0700376-A1 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 1996-03-13 EP disclosed
WO-1994027954-A1 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 1994-12-08 WO disclosed
EP-0452952-B1 PROCESS FOR PRODUCING BENZYLAMINES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-07-28 EP disclosed
US-5210303-A Reacting a benzyl halide with an aqueous ammonia solution in the presence of an aromatic aldehyde IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-05-11 US disclosed
EP-0452952-A1 Process for producing benzylamines IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1991-10-23 EP disclosed
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 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 (6 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 CES2 3116/4885CES1 3158/4885ALDH1A1 83/4885
US-20200407487-A1 Base Proliferating Agent, and Base-Reactive Resin Composition Containing Said Base Proliferating Agent PCNA, MKI67, POLR1A CES2 4207/4885CES1 4476/4885ALDH1A1 1864/4885
US-11905361-B2 Base proliferating agent, and base-reactive resin composition containing said base proliferating agent PCNA, MKI67, POLR1A CES2 4335/4885CES1 4586/4885ALDH1A1 1798/4885
US-11401370-B2 Base proliferating agent, and base-reactive resin composition containing said base proliferating agent PCNA, MKI67, POLR1A CES2 4335/4885CES1 4586/4885ALDH1A1 1798/4885
US-20220332886-A1 Base Proliferating Agent, and Base-Reactive Resin Composition Containing Said Base Proliferating Agent PCNA, MKI67, POLR1A CES2 4335/4885CES1 4586/4885ALDH1A1 1798/4885
US-12566376-B2 Resist composition and resist pattern forming method RER1, REV1, GAR1 CES2 2570/4885CES1 2097/4885ALDH1A1 831/4885

“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.