SCHEMBL4615136

SCHEMBL4615136

Cc1cc(NCC(C)(C)CNc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
NPC1 O15118 3/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL5972001 0.93 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL14338942 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL14594524 0.84 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL6358511 0.82 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL2769356 0.81 AR (0.55) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4954691 0.81 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5972286 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4953094 0.79 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4953322 0.79 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL18528090 0.78 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ARAB9A

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 ALDH1A1 976/4885MAPT 1810/4885MEN1 4447/4885

“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.