SCHEMBL20320394

SCHEMBL20320394

COC(=O)c1nsc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.35
ALDH1A1 P00352 9/20 0.35
KDM4E B2RXH2 6/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL20320397 0.80 CYP1A2 (0.43) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL25605109 0.79 NPSR1 (0.43) NPSR1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL10838902 0.78 NPSR1 (0.41) NPSR1LMNAALDH1A1KDM4EKMT2A
SCHEMBL7915881 0.78 NPSR1 (0.41) NPSR1LMNAALDH1A1KDM4EKMT2A
SCHEMBL5391630 0.78 NPSR1 (0.41) NPSR1LMNAALDH1A1KDM4EKMT2A
SCHEMBL21366056 0.76 NPSR1 (0.40) NPSR1LMNAALDH1A1KDM4EKMT2A
SCHEMBL20320399 0.75 ALDH1A1 (0.34) NPSR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL21366414 0.75 NPSR1 (0.39) NPSR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL21366052 0.75 NPSR1 (0.39) NPSR1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL25145024 0.72 TP53 (0.36) ALDH1A1KDM4EHPGDMAPTTDP1

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 3 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
EP-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP 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 NPSR1 1874/4885LMNA 3862/4885ALDH1A1 201/4885

“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.