SCHEMBL3726972

SCHEMBL3726972

COc1ccc(OCC(=O)NNC(N)=S)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.59
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
HCAR2 Q8TDS4 1/20 0.56
POLB P06746 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
ALPL P05186 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3740206 0.84 NPC1 (0.63) ALDH1A1KMT2AMEN1KDM4EADAMTS5
SCHEMBL3736461 0.80 HPGD (0.57) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL14846350 0.80 GRIN1 (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5434584 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3727333 0.79 GAA (0.73) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL14846355 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL31239117 0.78 RAB9A (0.80) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL5039308 0.77 MAOB (0.51) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL1031505 0.77 MAPT (0.58) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11840053 0.77 ALDH1A1 (0.56) ALDH1A1LMNAPOLBHPGD

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 UBE2N 4326/4885ALDH1A1 458/4885KMT2A 3443/4885

“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.