SCHEMBL5155046

SCHEMBL5155046

O=[N+]([O-])c1ccc(NCCCCC(CO)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GLA P06280 3/20 0.52
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPT P10636 13/20 0.49
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.41

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
SCHEMBL3866264 0.82 CA12 (0.57) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5119014 0.80 MAPT (0.50) ALDH1A1SMN1; SMN2GLAHPGDMAPT
SCHEMBL5119021 0.80 MAPT (0.50) ALDH1A1SMN1; SMN2GLAHPGDMAPT
SCHEMBL4953837 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL7938661 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL14089668 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL14117517 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL18549022 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5157922 0.79 PRSS1 (0.40) ALDH1A1MAPT
SCHEMBL6673456 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GLAHPGDALOX12

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
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739075-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more hydroxyl, alkoxy and/or amino groups 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-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers KRT18, PLOD3, DSP ALDH1A1 298/4885SMN1; SMN2 4570/4885GLA 1238/4885

“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.