SCHEMBL18674683

SCHEMBL18674683

CCOc1ccc(-c2csc(N3CCOCC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.64
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MAPK1 P28482 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ ALDH1A1 P00352 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL18674648 0.86 RAB9A (0.74) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL27315641 0.83 AR (0.62) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674690 0.83 AR (0.69) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL27412079 0.82 AR (0.64) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674640 0.81 AR (0.74) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL12297644 0.80 ALOX5 (0.70) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL30938128 0.79 AR (0.56) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL2560440 0.79 RAB9A (1.00) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL17014765 0.79 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL12601866 0.79 AR (0.94) ARRAB9ANPC1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 — — EP claimed
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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