SCHEMBL3223310

SCHEMBL3223310

O=C(OCCNC(=S)N[C@H]1CCc2ccccc21)C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
EPHX2 P34913 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
NPY1R P25929 3/20 0.45
RECQL P46063 1/20 0.43
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.41
NPY5R Q15761 1/20 0.41
DHODH Q02127 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 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
SCHEMBL3223315 1.00 ALDH1A1 (0.49) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL3209742 0.88 KMT2A (0.47) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL3209739 0.88 KMT2A (0.47) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL13490249 0.86 TRPM8 (0.39) ALDH1A1MEN1KMT2AMAPTTAS1R3
SCHEMBL4165961 0.84 MEN1 (0.49) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL4165971 0.84 MEN1 (0.49) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL3221983 0.83 ALDH1A1 (0.55) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL3221992 0.83 ALDH1A1 (0.55) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL3219313 0.83 MEN1 (0.52) ALDH1A1EPHX2MEN1KMT2AMAPT
SCHEMBL3219310 0.83 MEN1 (0.52) ALDH1A1EPHX2MEN1KMT2AMAPT

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.