SCHEMBL17694781

SCHEMBL17694781

Cc1cc(NC(=O)OC(C)(C)C)nn1Cc1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 19/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL30697035 0.83 PTGER1 (0.56) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL14097081 0.81 PTGER1 (0.54) PTGER1CYP2C9CYP1A2CYP2C19LMNA
SCHEMBL30660589 0.78 PTGER1 (0.55) PTGER1CYP2C9CYP1A2CYP2C19LMNA
SCHEMBL26931352 0.78 PTGER1 (0.53) PTGER1CYP2C9CYP1A2CYP2C19LMNA
SCHEMBL30660590 0.78 PTGER1 (0.53) PTGER1CYP2C9CYP1A2CYP2C19LMNA
SCHEMBL29276691 0.77 PTGER1 (0.52) PTGER1CYP2C9CYP1A2CYP2C19LMNA
SCHEMBL12050053 0.76 ALDH1A1 (0.55) PTGER1CYP2C9LMNA
SCHEMBL13693152 0.74 PTGER1 (1.00) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL13693161 0.74 PTGER1 (0.81) PTGER1CYP2C9CYP1A2CYP2C19
SCHEMBL13693156 0.73 PTGER1 (1.00) PTGER1CYP2C9CYP1A2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 — — EP disclosed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 — — EP disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US 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-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, ACHE, NISCH PTGER1 4263/4885CYP2C9 581/4885CYP1A2 526/4885

“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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