SCHEMBL18674660

SCHEMBL18674660

c1ccc(-c2csc(N3CCC(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.77
▸ RAB9A P51151 9/20 0.71
▸ NPC1 O15118 8/20 0.71
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ CYP1A2 P05177 4/20 0.71
▸ CYP2C9 P11712 4/20 0.71
▸ CYP2C19 P33261 4/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ HPGD P15428 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ AR P10275 4/20 0.67
▸ TP53 P04637 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ LMNA P02545 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ HTT P42858 1/20 0.58

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
SCHEMBL18674597 0.92 RAB9A (0.84) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL18674670 0.85 AR (0.84) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL3813999 0.84 SMN1; SMN2 (0.68) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL18674598 0.84 SMN1; SMN2 (0.68) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL18674671 0.82 AR (0.97) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL22334849 0.81 MAPT (0.57) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL18674667 0.81 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3004754 0.80 SMN1; SMN2 (1.00) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL17266249 0.80 SMN1; SMN2 (1.00) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL10219766 0.80 AR (0.62) MAPTRAB9ANPC1SMN1; SMN2CYP1A2

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 MAPT 1094/4885RAB9A 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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