SCHEMBL20320342

SCHEMBL20320342

Cc1cc(C(C)(C)CF)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
GLS O94925 1/20 0.32
KCNH2 Q12809 2/20 0.31
PKM P14618 1/20 0.31
ASAH1 Q13510 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
SCHEMBL20320336 0.85 SMN1; SMN2 (0.33) SMN1; SMN2GLSKCNH2PKMASAH1
SCHEMBL20320349 0.82 SMN1; SMN2 (0.33) SMN1; SMN2GLSASAH1
SCHEMBL20320341 0.81 SMN1; SMN2 (0.33) SMN1; SMN2GLSKCNH2
SCHEMBL22337568 0.79 SMN1; SMN2 (0.36) SMN1; SMN2GLSKCNH2PKMASAH1
SCHEMBL22678968 0.79 ASAH1 (0.32) SMN1; SMN2GLSASAH1
SCHEMBL427520 0.77 SMN1; SMN2 (0.37) SMN1; SMN2GLS
SCHEMBL3436871 0.75 PKM (0.45) SMN1; SMN2PKMASAH1
SCHEMBL20320345 0.74 SMN1; SMN2 (0.33) SMN1; SMN2GLSASAH1
SCHEMBL255124 0.74 SMN1; SMN2 (0.39) SMN1; SMN2GLSPKM
SCHEMBL20320404 0.74 MEN1 (0.36) 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 SMN1; SMN2 4626/4885GLS 317/4885KCNH2 1508/4885

“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.