SCHEMBL3435708

SCHEMBL3435708

CCOC(=O)c1csc(C2CCSCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.52
▸ NPC1 O15118 8/20 0.52
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CASP8 Q14790 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GAA P10253 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ HSP90AA1 P07900 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL2142237 0.92 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2142696 0.89 SMN1; SMN2 (0.56) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1245930 0.89 SMN1; SMN2 (0.60) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL996638 0.88 SMN1; SMN2 (0.62) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL17885697 0.86 RAB9A (0.52) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL28507736 0.85 RAB9A (0.51) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1228518 0.85 BAZ2A (0.52) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2077891 0.85 CASP3 (0.54) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2774105 0.84 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL3435742 0.84 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1MEN1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 — — EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 RAB9A 4401/4885NPC1 4245/4885MAPT 1330/4885

“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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