SCHEMBL3320168

SCHEMBL3320168

Cc1cccc(NNC(C)O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IDO1 P14902 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
SCHEMBL1004460 0.80 MAPT (0.50) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL6694995 0.79 GAA (0.65) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL9297146 0.77 GAA (0.50) GAAMAPTALDH1A1HSD17B10CYP3A4
SCHEMBL27560495 0.74 MAPT (0.52) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL2479722 0.73 GAA (0.60) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL28895568 0.73 NPSR1 (0.68) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL27851104 0.72 MAPT (0.50) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL11743312 0.72 MAPT (0.60) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL8322258 0.71 GAA (0.57) GAAMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL632551 0.71 TDP1 (0.56) GAAMAPTALDH1A1HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7857864-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivative L'OREAL S.A. (FR) 2010-12-28 US disclosed
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE L'OREAL S.A. (FR) 2010-05-13 US disclosed
US-7635394-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2009-12-22 US disclosed
US-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2007-06-28 US 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 (2 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-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives KRT18, MARK1, MARK2 GAA 4189/4885MAPT 1134/4885ALDH1A1 683/4885
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 GAA 4268/4885MAPT 1157/4885ALDH1A1 711/4885

“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.