SCHEMBL12419209

SCHEMBL12419209

COc1ccnc(CSc2nc3cc(C)ccc3[nH]2)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ NOS2 P35228 2/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ CYP2E1 P05181 3/20 0.43
▸ CYP2C8 P10632 3/20 0.43
▸ CYP2B6 P20813 3/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 2/20 0.41
▸ BRS3 P32247 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39

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
SCHEMBL18470699 0.86 SMN1; SMN2 (0.59) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11035049 0.80 NOS2 (0.52) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26762358 0.80 CYP1A2 (0.59) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8501299 0.78 CYP2C9 (0.55) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10713337 0.78 BRS3 (0.57) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19228809 0.77 CBFB (0.49) RAB9ANPC1MAPTTP53PKM
SCHEMBL2383094 0.77 CYP1A2 (0.55) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8122265 0.77 RAB9A (0.58) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29527095 0.76 CYP1A2 (0.78) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26639252 0.76 CYP1A2 (0.78) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171149-A1 Skin Lightening Compositions ELC MANAGEMENT LLC 2011-07-14 — — 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-20110171149-A1 Skin Lightening Compositions CUTA, TYR, DSG1 RAB9A 4499/4885CYP1A2 1093/4885CYP3A4 2827/4885

“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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