SCHEMBL20320322

SCHEMBL20320322

Cc1cc(C(C)(C)CC#N)on1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20320359 0.81 TP53 (0.31)
SCHEMBL14530597 0.77 POLB (0.36) HCAR2ALDH1A1MEN1KMT2A
SCHEMBL20320525 0.76 HCAR2 (0.34) HCAR2ALDH1A1PKMMEN1KMT2A
SCHEMBL20320536 0.76 HCAR2 (0.38) HCAR2ALDH1A1MEN1KMT2A
SCHEMBL20320522 0.76 ALDH1A1 (0.39) HCAR2ALDH1A1MEN1KMT2A
SCHEMBL20320538 0.74 POLB (0.38) HCAR2ALDH1A1MEN1KMT2A
SCHEMBL25803019 0.74 MEN1 (0.38) MEN1KMT2A
SCHEMBL14724231 0.73 MEN1 (0.34) HCAR2ALDH1A1MEN1KMT2A
SCHEMBL18483392 0.73 HCAR2 (0.32) HCAR2ALDH1A1MEN1KMT2A
SCHEMBL171117 0.72 KMT2A (0.48) HCAR2ALDH1A1PKMMEN1KMT2A

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 HCAR2 675/4885ALDH1A1 201/4885PKM 1278/4885

“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.