SCHEMBL4188896

SCHEMBL4188896

CCCc1cccc(NO)c1NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLCN2 P51788 1/20 0.37
▸ DAO P14920 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL9413635 0.82 ADRA2B (0.44) CLCN2ADRA2BADRA2CLIPGHDAC3
SCHEMBL4840068 0.77 DAO (0.33) DAOADRA2BADRA2CGABRA1GABRB2
SCHEMBL30358479 0.71 KCNH2 (0.38) DAOADRA2BADRA2CGABRA1GABRB2
SCHEMBL11353390 0.71 CYP3A4 (0.51) LIPGPTGS2HDAC3HDAC4HDAC1
SCHEMBL23937092 0.70 CLCN2 (0.45) CLCN2ADRA2BADRA2CPTGS2GRM5
SCHEMBL2255093 0.69 ALDH1A1 (0.53) CLCN2GABRA1GABRB2HDAC3HDAC4
SCHEMBL13813554 0.69 ADRA2B (0.46) CLCN2ADRA2BADRA2CPTGS2GRM5
SCHEMBL22448900 0.68 CLCN2 (0.43) CLCN2ADRA2BADRA2CPTGS2
SCHEMBL674691 0.68 GABRA1 (0.64) DAOGABRA1GABRB2PTGS2
SCHEMBL1135151 0.67 ADRA2B (0.45) ADRA2BADRA2CPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090032768-A1 WATER-SOLUBLE PHENYLENEDIAMINE COMPOSITIONS AND METHODS FOR STABILIZING ETHYLENICALLY UNSATURATED COMPOUNDS AND MONOMERS GENERAL ELECTRIC COMPANY (US) 2009-02-05 — — US disclosed
US-7414162-B2 For inhibiting polymerization of ethylenically unsaturated monomers; includes a water-soluble phenylenediamine composition GENERAL ELECTRIC COMPANY (US) 2008-08-19 — — US disclosed
US-20070187649-A1 Water-soluble phenylenediamine compositions and methods for stabilizing ethylenically unsaturated compounds and monomers GENERAL ELECTRIC COMPANY 2007-08-16 — — US disclosed
US-20040211702-A1 Water-soluble phenylenediamine compositions and methods for stabilizing ethylenically unsaturated compounds and monomers GENERAL ELECTRIC COMPANY 2004-10-28 — — 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-20070187649-A1 Water-soluble phenylenediamine compositions and methods for stabilizing ethylenically unsaturated compounds and monomers PNMT, EPN1, FASN CLCN2 3441/4885DAO 1125/4885ADRA2B 2606/4885

“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.

Send feedback