SCHEMBL453875

SCHEMBL453875

CCNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HCAR3 P49019 1/20 0.49
HTT P42858 3/20 0.45

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
SCHEMBL24684 0.83 GPR35 (0.54) GPR35ALDH1A1KMT2AMAPTMEN1
SCHEMBL27525505 0.83 GPR35 (0.54) GPR35ALDH1A1KMT2AMAPTMEN1
SCHEMBL23789 0.83 ALDH1A1 (0.53) GPR35ALDH1A1KMT2AMAPTMEN1
SCHEMBL10601066 0.80 ALDH1A1 (0.51) GPR35ALDH1A1KMT2AMAPTMEN1
SCHEMBL27864378 0.80 ERN1 (0.55) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL27512806 0.80 GPR35 (0.51) GPR35ALDH1A1KMT2AMAPTMEN1
Trinitrophenol SCHEMBL650126 0.79 GPR35 (0.67) GPR35ALDH1A1KMT2AMAPTMEN1
SCHEMBL10600910 0.78 GLA (0.48) GPR35ALDH1A1KMT2AMAPTMEN1
SCHEMBL15216215 0.78 MAPT (0.55) GPR35ALDH1A1KMT2AMAPTMEN1
Trinitrophenol SCHEMBL27383317 0.78 GPR35 (0.65) GPR35ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151400-B1 HAIR DYEING COMPOSITIONS WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME Wella Aktiengesellschaft (DE) 1989-05-24 EP claimed
EP-0151400-A2 Hair dyeing compositions with picramic acid derivatives, new picramic acid derivatives and process for preparing same Wella Aktiengesellschaft (DE) 1985-08-14 EP claimed
WO-1985003222-A1 HAIR COLORANT WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PRODUCTION PROCESS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1985-08-01 WO claimed
US-8632612-B2 Compositions for dyeing keratin fibers SEGETIS, INC. (US) 2014-01-21 US disclosed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 EP disclosed
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2013-06-20 US disclosed
EP-2103299-B1 Oxidizing hair colourant compositions PROCTER & GAMBLE (US) 2013-02-27 EP disclosed
WO-2012033813-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2012-03-15 WO disclosed
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 EP disclosed
US-7597720-B2 Oxidizing hair colourant compositions THE PROCTER & GAMBLE COMPANY (US) 2009-10-06 US disclosed
EP-2103299-A2 Oxidizing hair colourant compositions The Procter and Gamble Company (US) 2009-09-23 EP disclosed
EP-0873109-A1 COLORANT FOR PRODUCING METAMERIC EFFECTS ON KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-10-28 EP disclosed
EP-0871426-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-10-21 EP disclosed
EP-0868165-A1 MEANS AND METHOD FOR TINTING KERATIN FIBERS Wella Aktiengesellschaft (DE) 1998-10-07 EP disclosed
WO-1998020847-A1 COLORANT FOR PRODUCING METAMERIC EFFECTS ON KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-22 WO disclosed
WO-1998017235-A1 MEANS AND METHOD FOR TINTING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 WO disclosed
WO-1998017234-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 WO disclosed
EP-0151400-B1 HAIR DYEING COMPOSITIONS WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME Wella Aktiengesellschaft (DE) 1989-05-24 EP disclosed
EP-0151400-A2 Hair dyeing compositions with picramic acid derivatives, new picramic acid derivatives and process for preparing same Wella Aktiengesellschaft (DE) 1985-08-14 EP disclosed
WO-1985003222-A1 HAIR COLORANT WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PRODUCTION PROCESS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1985-08-01 WO 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-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, KRTCAP2, JUP GPR35 3751/4885ALDH1A1 1127/4885KMT2A 2143/4885

“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.