SCHEMBL20320324

SCHEMBL20320324

Cc1cc(C(C)c2ccccc2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.37
▸ COMT P21964 3/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ BRD4 O60885 1/20 0.36

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
SCHEMBL12261572 0.81 NPBWR1 (0.42) NPBWR1MCHR1GAAKMT2AMEN1
SCHEMBL12809631 0.79 TYR (0.43) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL20320367 0.75 PGR (0.41) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14450768 0.75 NPBWR1 (0.42) NPBWR1MCHR1GAAKMT2AMEN1
SCHEMBL468941 0.72 — —
SCHEMBL11557712 0.72 HDAC1 (0.36) GAAKMT2AMEN1KDM4ECOMT
SCHEMBL19879528 0.72 HSD17B10 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL24710858 0.69 — —
SCHEMBL19135319 0.69 — —
SCHEMBL2123340 0.69 — —

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 NPBWR1 992/4885MCHR1 3108/4885GAA 985/4885

“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.

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