SCHEMBL4617831

SCHEMBL4617831

CC(C)(CNc1ccc([N+](=O)[O-])cc1)CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
GLA P06280 2/20 0.50
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 3/20 0.48
ALOX12 P18054 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.47
IDO1 P14902 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL12932899 0.89 MAPT (0.65) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL14594045 0.86 MAPT (0.61) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL4696380 0.86 MAPT (0.61) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL7508194 0.86 MAPT (0.61) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL14594523 0.81 MAPT (0.42) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL10511962 0.80 MAPT (0.62) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL5154859 0.79 MAPT (0.53) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL5415323 0.79 MAPT (0.56) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL570831 0.79 MAPT (1.00) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL9003269 0.78 MAPT (0.70) MAPTALDH1A1RECQLHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1739074-B1 Novel double para-phenylenediamines joined by a branched aliphatic group and use in dyeing OREAL (FR) 2008-03-12 EP disclosed
US-20070011828-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and method of dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739074-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and use in dyeing L'OREAL (FR) 2007-01-03 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-20070011828-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and method of dyeing keratin fibers KRT18, CDC73, DSP MAPT 1810/4885ALDH1A1 976/4885RECQL 3597/4885

“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.