SCHEMBL11064658

SCHEMBL11064658

NC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.71
NPC1 O15118 4/20 0.71
ALDH1A1 P00352 4/20 0.70
HSD17B10 Q99714 2/20 0.70
SMN1; SMN2 Q16637 5/20 0.63
AR P10275 3/20 0.63
TP53 P04637 2/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 4/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 4/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 5/20 0.61
HTT P42858 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL3761593 0.89 RAB9A (0.74) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2557601 0.87 SMN1; SMN2 (0.70) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL18674602 0.86 RAB9A (0.75) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL18674661 0.86 RAB9A (0.64) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL18674670 0.85 AR (0.84) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11071836 0.83 RAB9A (1.00) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11075592 0.83 RAB9A (0.70) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL17266248 0.82 RAB9A (0.65) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL22334841 0.82 AR (0.65) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL12291571 0.82 SMN1; SMN2 (0.78) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56127364-A None JP disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-4476128-A ANTIARTHRITIC AGENTS ANTIBODY INHIBITORS MITSUITOATSU CHEMICALS, INC. (JP) 1984-10-09 US disclosed
JP-S56127364-A NOVEL PIPERAZINE COMPOUND, ITS PREPARATION AND UTILIZATION MITSUI TOATSU CHEM INC 1981-10-06 JP 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-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER KRT18, F12, CBR3 RAB9A 3590/4885NPC1 4834/4885ALDH1A1 515/4885

“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.