SCHEMBL20320295

SCHEMBL20320295

Cc1nc(C2CCC2)oc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ADCY1 Q08828 2/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PSMB5 P28074 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ADCY8 P40145 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
SCHEMBL18161903 0.91 KDM4E (0.33) RAB9ANPC1ALDH1A1ACHE
SCHEMBL2374121 0.91 KDM4E (0.33) RAB9ANPC1ALDH1A1ACHE
SCHEMBL15006790 0.82 GABRA1 (0.37) ACHE
SCHEMBL26605721 0.80 PDE9A (0.32)
SCHEMBL19022068 0.77 GPR4 (0.32) RAB9ANPC1ALDH1A1
SCHEMBL2590523 0.76 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL2590520 0.76 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL26605648 0.76 MAPK1 (0.33)
SCHEMBL20378249 0.75 GAA (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2590162 0.73 ADORA1 (0.36) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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 RAB9A 2926/4885NPC1 4598/4885ALDH1A1 201/4885

“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.