SCHEMBL3733435

SCHEMBL3733435

Nc1nnc(Cc2ccsc2)s1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
POLB P06746 4/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.46
GLS O94925 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 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
SCHEMBL2644442 0.76 ALDH1A1 (1.00) ALDH1A1POLBHPGDLMNAHTT
Hydrogen Sulfide SCHEMBL28084028 0.74 ALDH1A1 (0.96) ALDH1A1POLBHPGDLMNAHTT
SCHEMBL15884611 0.74 ALDH1A1 (0.70) ALDH1A1POLBHPGDLMNAHTT
SCHEMBL15472914 0.73 ALDH1A1 (0.61) ALDH1A1POLBHPGDLMNAHTT
SCHEMBL3027076 0.73 ALDH1A1 (1.00) ALDH1A1POLBHPGDLMNAHTT
SCHEMBL602492 0.73 ALDH1A1 (0.69) ALDH1A1POLBHPGDLMNAHTT
SCHEMBL4220065 0.73 ALDH1A1 (0.69) ALDH1A1POLBHPGDLMNAHTT
SCHEMBL9357255 0.71 TAAR1 (0.56) ALDH1A1TAAR1MAPT
SCHEMBL601912 0.69 ALDH1A1 (0.58) ALDH1A1POLBHPGDLMNAHTT
SCHEMBL3467136 0.69 ALDH1A1 (0.63) ALDH1A1POLBHPGDLMNAHTT

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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 458/4885POLB 3408/4885HPGD 203/4885

“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.