SCHEMBL3221992

SCHEMBL3221992

O=C(Cc1ccccc1)OCCNC(=S)NC1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
EPHX2 P34913 4/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
HTT P42858 1/20 0.42
DHODH Q02127 1/20 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
SCHEMBL3221983 1.00 ALDH1A1 (0.55) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3217911 0.90 EPHX2 (0.56) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3217921 0.90 EPHX2 (0.56) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3224122 0.87 MEN1 (0.52) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3224127 0.87 MEN1 (0.52) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3213325 0.85 MAPT (0.48) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3213333 0.85 MAPT (0.48) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3208888 0.85 MEN1 (0.53) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3212890 0.85 MEN1 (0.44) ALDH1A1EPHX2MEN1KMT2ARECQL
SCHEMBL3212880 0.85 MEN1 (0.44) ALDH1A1EPHX2MEN1KMT2ARECQL

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
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 ALDH1A1 128/4885EPHX2 727/4885MEN1 316/4885

“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.