SCHEMBL20320397

SCHEMBL20320397

CCOC(=O)c1nsc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL23295662 0.83 CYP1A2 (0.42) CYP1A2ALDH1A1NPC1HPGDMAPT
SCHEMBL2594474 0.81 KMT2A (0.42) CYP1A2ALDH1A1NPC1HPGDMAPT
SCHEMBL7350279 0.81 ALDH1A1 (0.50) CYP1A2ALDH1A1NPC1HPGDMAPT
SCHEMBL20320394 0.80 NPSR1 (0.43) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL25145024 0.78 TP53 (0.36) ALDH1A1NPC1HPGDMAPTRAB9A
SCHEMBL352579 0.77 CYP1A2 (0.54) CYP1A2ALDH1A1NPC1HPGDMAPT
SCHEMBL11643375 0.74 TRPM8 (0.57) ALDH1A1NPC1HPGDMAPTRAB9A
SCHEMBL11643989 0.74 TRPM8 (0.57) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL11641440 0.73 RARA (0.54) CYP1A2ALDH1A1NPC1HPGDMAPT
SCHEMBL4827391 0.72 CYP1A2 (0.48) CYP1A2ALDH1A1HPGDMAPTKMT2A

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CYP1A2 26/4885ALDH1A1 201/4885NPC1 4598/4885

“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.