SCHEMBL20320404

SCHEMBL20320404

Cc1cc(C(C)(C)Cl)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
GLS O94925 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL427520 0.82 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL22337568 0.80 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL255124 0.78 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2HTTGLS
SCHEMBL20320341 0.78 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL3436871 0.76 PKM (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL20320344 0.75 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL20320345 0.75 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1GLS
SCHEMBL20320338 0.75 PDE2A (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL20320349 0.75 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1GLS
SCHEMBL20320342 0.74 SMN1; SMN2 (0.33) SMN1; SMN2GLS

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 MEN1 3916/4885KMT2A 2086/4885SMN1; SMN2 4626/4885

“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.