SCHEMBL9949064

SCHEMBL9949064

O=[N+]([O-])c1ccccc1C(Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.49
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 4/20 0.44
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
CASP7 P55210 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
GPR35 Q9HC97 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 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
SCHEMBL10477945 0.81 CYP1A2 (0.54) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL31207336 0.80 CYP1A2 (0.53) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL7616610 0.80 CYP1A2 (0.53) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL3279320 0.79 CYP1A2 (0.53) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL10569743 0.79 CYP1A2 (0.50) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL5583438 0.78 CYP1A2 (0.56) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL4692662 0.78 CYP1A2 (0.51) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL31633570 0.78 CYP1A2 (0.56) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL4690726 0.78 CYP1A2 (0.60) CYP1A2TSHRALDH1A1TDP1HSD17B10
SCHEMBL16284293 0.78 CYP1A2 (0.51) CYP1A2TSHRALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120272461-A1 DYES WITH CHANGEABLE SOLUBILITIES, AND METHODS FOR THEIR USE CRESTLINE DIRECT FINANCE, L.P. 2012-11-01 US disclosed
US-20120272461-A1 DYES WITH CHANGEABLE SOLUBILITIES, AND METHODS FOR THEIR USE CRESTLINE DIRECT FINANCE, L.P. 2012-11-01 US disclosed
US-20120272461-A1 DYES WITH CHANGEABLE SOLUBILITIES, AND METHODS FOR THEIR USE CRESTLINE DIRECT FINANCE, L.P. 2012-11-01 US disclosed
US-8298298-B1 Dyes with changeable solubilities, and methods for their use Empire Development Technology LLC (US) 2012-10-30 US disclosed
US-8298298-B1 Dyes with changeable solubilities, and methods for their use Empire Development Technology LLC (US) 2012-10-30 US disclosed
US-8298298-B1 Dyes with changeable solubilities, and methods for their use Empire Development Technology LLC (US) 2012-10-30 US disclosed
US-8246698-B2 Dyes with changeable solubilities, and methods for their use EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2012-08-21 US disclosed
US-8246698-B2 Dyes with changeable solubilities, and methods for their use EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2012-08-21 US disclosed
US-8246698-B2 Dyes with changeable solubilities, and methods for their use EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2012-08-21 US disclosed
US-20120164288-A1 DYES WITH CHANGEABLE SOLUBILITIES, AND METHODS FOR THEIR USE EMPIRE TECHNOLOGY DEVELOPMENT LLC 2012-06-28 US disclosed
US-20120164288-A1 DYES WITH CHANGEABLE SOLUBILITIES, AND METHODS FOR THEIR USE EMPIRE TECHNOLOGY DEVELOPMENT LLC 2012-06-28 US disclosed
US-20120164288-A1 DYES WITH CHANGEABLE SOLUBILITIES, AND METHODS FOR THEIR USE EMPIRE TECHNOLOGY DEVELOPMENT LLC 2012-06-28 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 (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-20120164288-A1 DYES WITH CHANGEABLE SOLUBILITIES, AND METHODS FOR THEIR USE STRA6, CDC73, CD44 CYP1A2 3422/4885TSHR 3987/4885ALDH1A1 2416/4885

“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.