SCHEMBL3729668

SCHEMBL3729668

NC(=S)NNC(=O)COc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.69
GAA P10253 2/20 0.68
ATM Q13315 1/20 0.68
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 2/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ADAMTS5 Q9UNA0 2/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
TDP1 Q9NUW8 2/20 0.59
ADAMTS4 O75173 1/20 0.54
DAPK1 P53355 1/20 0.53
PIM3 Q86V86 1/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 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
SCHEMBL4302000 0.82 OGG1 (1.00) OGG1GAAMEN1KMT2AALDH1A1
SCHEMBL3727333 0.81 GAA (0.73) GAAATMKMT2AALDH1A1KDM4E
SCHEMBL10727418 0.80 OGG1 (0.74) OGG1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1614613 0.80 KDM4E (0.72) OGG1GAAMEN1KMT2AALDH1A1
SCHEMBL3733772 0.79 GAA (0.71) GAAATMMEN1KMT2AALDH1A1
SCHEMBL3738177 0.79 GAA (0.71) GAAATMMEN1KMT2AALDH1A1
SCHEMBL6846901 0.79 OGG1 (0.72) OGG1GAAMEN1KMT2AALDH1A1
SCHEMBL4908724 0.78 KDM4E (0.74) OGG1GAAMEN1KMT2AALDH1A1
SCHEMBL3725265 0.77 ATM (0.68) GAAATMMEN1KMT2AALDH1A1
SCHEMBL28325522 0.77 OGG1 (0.89) OGG1GAAMEN1KMT2AALDH1A1

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 OGG1 4123/4885GAA 735/4885ATM 3093/4885

“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.