SCHEMBL21610404

SCHEMBL21610404

CCC1CC(C)=NN1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ ALDH1A1 P00352 8/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ GLA P06280 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ GAA P10253 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGS1 P23219 1/20 0.38

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
SCHEMBL25379636 0.85 MAPT (0.45) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL7717975 0.81 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22796296 0.78 CD274 (0.43) MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL13387492 0.77 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL31537146 0.75 MAPT (0.46) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL27387438 0.75 MAPT (0.46) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL8103392 0.75 MAPT (0.68) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL25178380 0.75 MAPT (0.48) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL21610400 0.71 MAPT (0.43) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL20907422 0.71 MAPT (0.43) MAPTALDH1A1SMN1; SMN2HTTMEN1

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-2020002083-A1 SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — 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 MAPT 3730/4885ALDH1A1 201/4885SMN1; 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.

Send feedback