SCHEMBL5154190

SCHEMBL5154190

O=[N+]([O-])c1ccc(NCCC(O)CCNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
ALDH1A1 P00352 7/20 0.55
GLA P06280 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.52
ALOX12 P18054 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 1/20 0.50
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL14594062 0.92 ALDH1A1 (0.53) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL4416351 0.90 MAPT (0.56) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL9003269 0.83 MAPT (0.70) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL1024700 0.80 MAPT (0.61) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL5355772 0.80 MAPT (0.61) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL4951837 0.80 ALDH1A1 (0.73) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL3662904 0.79 MAPT (0.59) MAPTALDH1A1GLASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL28432645 0.79 MAPT (0.59) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL11022003 0.79 MAPT (0.59) MAPTALDH1A1GLASMN1; SMN2HPGD
SCHEMBL5157176 0.79 MAPT (0.59) MAPTALDH1A1GLASMN1; SMN2HPGD

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
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
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 MAPT 3579/4885ALDH1A1 298/4885GLA 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.