SCHEMBL18674647

SCHEMBL18674647

CCc1cccc(-c2csc(N3CCOCC3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.66
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ MAPT P10636 4/20 0.59
▸ MAPK1 P28482 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ GAA P10253 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL18674690 0.85 AR (0.69) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18674614 0.84 AR (0.71) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24939659 0.81 AR (0.71) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27413115 0.81 AR (0.78) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6629014 0.80 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL17014764 0.78 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12601866 0.78 AR (0.94) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18674640 0.75 AR (0.74) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL17009412 0.74 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL19051348 0.74 AR (0.69) ARRAB9ANPC1SMN1; SMN2MAPT

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-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

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 AR 562/4885RAB9A 3590/4885NPC1 4834/4885

“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.

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