SCHEMBL14872243

SCHEMBL14872243

CNc1ccc(NC(C)=S)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.62
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 3/20 0.41
THRB P10828 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL14511451 0.89 TAS2R38 (0.75) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL11751583 0.83 ALDH1A1 (0.61) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL14501366 0.82 EPHX1 (0.50) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL13693551 0.81 MAPT (0.62) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL8705118 0.80 GAA (0.65) TAS2R38ALDH1A1GAAMAPTKMT2A
SCHEMBL863133 0.80 TAS2R38 (0.62) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL11718858 0.78 SMN1; SMN2 (0.67) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL21985779 0.78 TAS2R38 (0.60) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL14872162 0.78 TAS2R38 (0.60) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10189868 0.78 EPHX1 (0.60) TAS2R38ALDH1A1GAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-18 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-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST PHAX, CD44, SNRPE TAS2R38 4282/4885ALDH1A1 4494/4885GAA 264/4885

“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.