SCHEMBL4953248

SCHEMBL4953248

COCC(O)CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
ABCB1 P08183 2/20 0.52
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL22584873 0.84 MAPT (0.82) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6001727 0.81 MAPT (0.54) MAPTABCB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4846637 0.80 MAPT (0.53) MAPTABCB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9820267 0.80 MAPT (0.61) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3662904 0.79 MAPT (0.59) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5157176 0.79 MAPT (0.59) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9149907 0.78 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14157797 0.78 MAPT (0.50) MAPTADRB2ADRB1ADRB3ABCB1
SCHEMBL4953767 0.76 MAPT (0.70) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3921914 0.76 MAPT (0.61) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 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-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof KRT18, NOTUM, ALDH7A1 MAPT 2001/4885ADRB2 3019/4885ADRB1 2770/4885

“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.