SCHEMBL5153567

SCHEMBL5153567

O=[N+]([O-])c1ccc(NCCNCCNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
ALDH1A1 P00352 7/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GLA P06280 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 1/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
CHRM2 P08172 1/20 0.51

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
SCHEMBL9003269 0.94 MAPT (0.70) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL195897 0.91 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL9385249 0.89 MAPT (0.71) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL4951837 0.86 ALDH1A1 (0.73) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL3989486 0.85 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL18549022 0.84 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL14117517 0.84 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL10589996 0.83 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL6851290 0.83 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL10614890 0.83 MAPT (0.58) MAPTALDH1A1MEN1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their 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-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers KRT18, DSP, CDC73 MAPT 2521/4885ALDH1A1 798/4885MEN1 4771/4885

“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.