SCHEMBL3047832

SCHEMBL3047832

[CH2]c1csc(N2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ AR P10275 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ RAB9A P51151 7/20 0.50
▸ NPC1 O15118 5/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PIK3CG P48736 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ HPGD P15428 4/20 0.36
▸ BLM P54132 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL18674673 0.78 AR (0.54) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL17266285 0.78 AR (0.54) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL18674672 0.78 AR (0.54) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL22334869 0.78 AR (0.54) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL28910899 0.76 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL2624023 0.76 RAB9A (0.58) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL4469579 0.76 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL18674626 0.75 AR (0.51) SMN1; SMN2HSD17B10ARTP53ALOX15
Hydrochloric Acid SCHEMBL9286611 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10ARTP53ALOX15
SCHEMBL4154589 0.73 AR (0.50) SMN1; SMN2HSD17B10ARTP53ALOX15

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S SMN1; SMN2 1950/4885HSD17B10 1486/4885AR 289/4885

“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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