SCHEMBL11071836

SCHEMBL11071836

CN(C)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
NPC1 O15118 4/20 1.00
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 2/20 0.65
MAPK1 P28482 5/20 0.60
LMNA P02545 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 5/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
AR P10275 3/20 0.59
TP53 P04637 2/20 0.59
ALOX15 P16050 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL11065477 0.89 RAB9A (0.80) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL11067191 0.88 RAB9A (0.79) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL11068640 0.88 RAB9A (0.78) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL11072344 0.87 RAB9A (0.77) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL18674602 0.86 RAB9A (0.75) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL3761593 0.85 RAB9A (0.74) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL11064658 0.83 RAB9A (0.71) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL11075592 0.82 RAB9A (0.70) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL18674670 0.82 AR (0.84) RAB9ANPC1ALDH1A1HSD17B10MAPK1
SCHEMBL11068460 0.82 RAB9A (0.69) RAB9ANPC1ALDH1A1HSD17B10MAPK1

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-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-4476128-A ANTIARTHRITIC AGENTS ANTIBODY INHIBITORS MITSUITOATSU CHEMICALS, INC. (JP) 1984-10-09 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-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.