SCHEMBL7601632

SCHEMBL7601632

CCc1cc(N)cc(CC)c1N.Cc1cc(N)cc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL5158799 0.93 ALDH1A1 (0.52) ALDH1A1HTTMAPTPOLBTSHR
Hydrochloric Acid SCHEMBL5431696 0.91 ALDH1A1 (0.50) ALDH1A1HTTMAPTPOLBTSHR
SCHEMBL33574 0.88 HTT (0.54) ALDH1A1HTTMAPTPOLBTSHR
Hydrochloric Acid SCHEMBL6742521 0.85 HTT (0.52) ALDH1A1HTTMAPTPOLBTSHR
SCHEMBL5219140 0.84 ALDH1A1 (0.50) ALDH1A1HTTMAPTPOLBTSHR
SCHEMBL33589 0.80 ALDH1A1 (0.65) ALDH1A1MAPTPOLBTSHRTP53
SCHEMBL12964261 0.79 NOS3 (0.42) ALDH1A1HTTMAPTPOLBTSHR
SCHEMBL3946139 0.78 ALDH1A1 (0.43) ALDH1A1HTTMAPTPOLBTSHR
SCHEMBL20012880 0.77 NOS3 (0.41) ALDH1A1HTTMAPTPOLBTSHR
Hydrochloric Acid SCHEMBL7931830 0.77 ALDH1A1 (0.61) ALDH1A1MAPTPOLBTSHRTP53

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-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 US claimed
EP-2473152-B1 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A SPECIFIC MINERAL AND/OR ORGANIC ALKALINE AGENT, A SPECIFIC COMPOUND (I) AND A SPECIFIC ORGANIC COMPOUND (II), AND USE THEREOF IN DYEING OREAL (FR) 2020-03-18 EP disclosed
US-20020078512-A1 Oxidizing composition and uses for dyeing, for permanently reshaping or for bleaching keratin fibres L'OREAL S.A. 2002-06-27 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 (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-20020078512-A1 Oxidizing composition and uses for dyeing, for permanently reshaping or for bleaching keratin fibres KRT18, ALDH1A2, ALDH1A3 ALDH1A1 161/4885HTT 2282/4885MAPT 1533/4885

“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.