SCHEMBL6280097

SCHEMBL6280097

CCC(C)(C)Nc1ccc(C)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
APP P05067 1/20 0.42
SLC6A4 P31645 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL10249294 0.81 SMN1; SMN2 (0.48) HDAC6SMN1; SMN2TDP1ALOX15CYP3A4
SCHEMBL29922535 0.76 MAPT (0.41) HDAC6SMN1; SMN2TDP1ALOX15CYP3A4
SCHEMBL21799667 0.76 MAPT (0.41) HDAC6SMN1; SMN2TDP1ALOX15CYP3A4
SCHEMBL3637289 0.74 HDAC6 (0.59) HDAC6SMN1; SMN2TDP1ALOX15CYP3A4
SCHEMBL10100015 0.73 MAP4K4 (0.38)
SCHEMBL2722710 0.73 ALDH1A1 (0.56) HDAC6SMN1; SMN2TDP1ALOX15CYP3A4
SCHEMBL124591 0.72 HDAC6 (0.71) HDAC6SMN1; SMN2TDP1ALOX15CYP3A4
SCHEMBL21310772 0.70 HDAC6 (0.48) HDAC6SMN1; SMN2TDP1ALOX15CYP3A4
SCHEMBL9024796 0.70 LATS1 (0.39) TDP1ALOX15THRBALDH1A1HSD17B10
SCHEMBL14906563 0.70 HDAC6 (0.63) HDAC6ALDH1A1HSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US claimed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US claimed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 US claimed
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US disclosed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US disclosed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 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-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER KRT18, AOC1, CYB5R3 HDAC6 833/4885SMN1; SMN2 2166/4885TDP1 955/4885
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRT18, AOC1, CYB5R3 HDAC6 833/4885SMN1; SMN2 2166/4885TDP1 955/4885

“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.