SCHEMBL11917993

SCHEMBL11917993

Cc1c[nH]c2nc(-c3ccc(Cl)c(F)c3)nc(C=O)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMO O15229 2/20 0.34
▸ LIMK1 P53667 5/20 0.32
▸ ROCK2 O75116 4/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ MAOB P27338 2/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL11913448 0.84 CYP1A2 (0.38) ABL1TRPV1CYP1A2KMOLIMK1
SCHEMBL11918126 0.80 KMO (0.38) ABL1TRPV1KMOCNR2PTGES
SCHEMBL11902528 0.79 ABL1 (0.39) ABL1CYP1A2KMOLIMK1ROCK2
SCHEMBL11918136 0.78 TRPV1 (0.40) ABL1TRPV1CYP1A2KMOPDE4D
SCHEMBL11918013 0.76 MEP1B (0.33) —
SCHEMBL11918007 0.72 CHUK (0.30) KMO
SCHEMBL11918018 0.69 RAB9A (0.36) LIMK1ROCK2TGFBR1TGFBR2TRPA1
SCHEMBL12885490 0.69 KMO (0.40) ABL1TRPV1CYP1A2KMOPDE4D
SCHEMBL15331416 0.68 KMO (0.41) ABL1TRPV1KMOPDE4DPTGES
SCHEMBL11913444 0.67 TRPV1 (0.38) ABL1TRPV1CYP1A2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ABL1 859/4885TRPV1 2865/4885CYP1A2 75/4885

“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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