SCHEMBL3733213

SCHEMBL3733213

Nc1nnc(CCc2ccccc2Cl)s1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ATM Q13315 1/20 0.60
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL2198158 0.85 ALDH1A1 (0.67) HTTATMGAAMAPK1ALDH1A1
SCHEMBL2197478 0.85 ALDH1A1 (0.67) HTTATMGAAMAPK1ALDH1A1
SCHEMBL3728952 0.78 ATM (0.57) HTTATMGAAALDH1A1HPGD
SCHEMBL3727127 0.76 ALDH1A1 (0.56) HTTATMGAAMAPK1ALDH1A1
SCHEMBL3729367 0.75 ATM (1.00) HTTATMALDH1A1MEN1KMT2A
SCHEMBL11887696 0.74 GAA (1.00) GAAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL29887392 0.74 GAA (1.00) GAAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6740216 0.73 TAAR1 (0.71) KMT2ATAAR1
SCHEMBL17967124 0.72 ALDH1A1 (0.72) HTTATMGAAALDH1A1MEN1
SCHEMBL3729052 0.71 HTT (0.74) HTTGAAMAPK1ALDH1A1MEN1

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 HTT 3634/4885ATM 3093/4885GAA 735/4885

“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.