SCHEMBL7539730

SCHEMBL7539730

CCOC(=S)NCc1c(C=O)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NCEH1 Q6PIU2 2/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36

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
SCHEMBL7542800 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7539134 0.82 KMT2A (0.53) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7535988 0.80 KMT2A (0.45) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7535934 0.76 SMN1; SMN2 (0.38) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL12426752 0.73 NCEH1 (0.45) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7191236 0.71 ALDH1A1 (0.38) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL1253157 0.70 GAA (0.49) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL9485440 0.69 GAA (0.47) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL7538616 0.69 KMT2A (0.60) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL11250039 0.68 L3MBTL1 (0.40) ALDH1A1KMT2AMEN1HPGDMAPT

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-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ALDH1A1 1488/4885KMT2A 3439/4885MEN1 3828/4885

“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.