SCHEMBL3390982

SCHEMBL3390982

O=C(O)c1ccc(CC[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.48
RARB P10826 6/20 0.47
SRD5A2 P31213 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RARA P10276 1/20 0.45
MTOR P42345 1/20 0.45
FBP1 P09467 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP6 P55212 1/20 0.43
PLA2G4B P0C869 1/20 0.42
PPARA Q07869 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
SCHEMBL6795273 0.89 RARB (0.53) TDP1ALDH1A1RARBSRD5A2TP53
SCHEMBL10785469 0.87 RARB (0.54) TDP1ALDH1A1RARBSRD5A2TP53
SCHEMBL17541809 0.83 TSHR (0.46) TDP1ALDH1A1TSHR
SCHEMBL29201805 0.83 KMT2A (0.53) ALDH1A1MAPTKMT2AMEN1
SCHEMBL51938 0.80 TDP1 (0.55) TDP1ALDH1A1SRD5A2TP53TSHR
Hydrogen Peroxide SCHEMBL28697848 0.79 CYP1A2 (0.47) TDP1ALDH1A1
SCHEMBL28601610 0.79 CYP4A11 (0.58) TDP1ALDH1A1TP53MAPTKMT2A
SCHEMBL27862914 0.79 FOLH1 (0.54) TP53KMT2AFBP1
SCHEMBL27986594 0.79 KCNJ1 (0.42) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL70166 0.79 TSHR (0.67) ALDH1A1RARBSRD5A2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212375-B1 MODERATED REDUCTION REACTIONS FOR PRODUCING ARYLHYDROXYLAMINES MicroSi, Inc. (a Delaware corporation) (US) 1993-06-16 EP claimed
US-4723030-A ACID CATALYTIC HYDROGENATION OF NITROAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1988-02-02 US claimed
US-4709107-A Process for producing nitrones GENERAL ELECTRIC COMPANY (US) 1987-11-24 US claimed
EP-0212375-A1 Moderated reduction reactions for producing arylhydroxylamines MicroSi, Inc. (a Delaware corporation) (US) 1987-03-04 EP claimed
CN-117659906-A Packaging adhesive film composition, packaging adhesive film and application 福斯特(滁州)新材料有限公司 2024-03-08 CN disclosed
CN-105418431-A Synthesis method of 2-chloro-6-bromo-p-nitrobenzoic acid DING YUQIN 2016-03-23 CN disclosed
CN-102276550-A Method for synthesizing 2-aryl nitrile thiazole derivative and intermediate thereof 2011-12-14 CN disclosed
US-20100009269-A1 HOLOGRAPHIC RECORDING MEDIA GENERAL ELECTRIC COMPANY (US) 2010-01-14 US disclosed
US-20100010262-A1 COMPOSITIONS AND METHOD FOR MAKING THEREOF GENERAL ELECTRIC COMPANY (US) 2010-01-14 US disclosed
CN-101606522-A N-aroyl tetrahydropyrimidineinsecticide insecticide and preparation method thereof UNIV SHANGHAI (CN) 2009-12-23 CN disclosed
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
US-6207794-B1 USING PHOSPHAZENIUM CATALYST MITSUI CHEMICAL, INC. (JP) 2001-03-27 US disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed
EP-0916686-A1 POLYOXYALKYLENEPOLYOLS, DERIVATIVES THEREOF, AND PROCESS FOR PRODUCING THE POLYOXYALKYLENEPOLYOLS Mitsui Chemicals, Inc. (JP) 1999-05-19 EP disclosed
EP-0212375-B1 MODERATED REDUCTION REACTIONS FOR PRODUCING ARYLHYDROXYLAMINES MicroSi, Inc. (a Delaware corporation) (US) 1993-06-16 EP disclosed
US-4723030-A ACID CATALYTIC HYDROGENATION OF NITROAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1988-02-02 US disclosed
US-4709107-A Process for producing nitrones GENERAL ELECTRIC COMPANY (US) 1987-11-24 US disclosed
EP-0212375-A1 Moderated reduction reactions for producing arylhydroxylamines MicroSi, Inc. (a Delaware corporation) (US) 1987-03-04 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-20100010262-A1 COMPOSITIONS AND METHOD FOR MAKING THEREOF C5, C1R, CBR3 TDP1 2905/4885ALDH1A1 3712/4885RARB 1672/4885

“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.