SCHEMBL11913444

SCHEMBL11913444

Cc1[nH]c2nc(-c3ccc(Cl)c(F)c3)nc(C)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ADORA2A P29274 5/20 0.38
▸ ADORA1 P30542 5/20 0.38
▸ SGK1 O00141 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ TYMS P04818 1/20 0.34
▸ TRPA1 O75762 1/20 0.33

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
SCHEMBL11918017 0.84 NPSR1 (0.38) NPSR1RXFP1ADORA2AADORA1SGK1
SCHEMBL1654710 0.81 RHEB (0.40) TRPV1CYP1A2ADORA2AADORA1ABL1
SCHEMBL11913448 0.79 CYP1A2 (0.38) TRPV1NPSR1RXFP1CYP1A2SGK1
SCHEMBL13649848 0.74 ADORA1 (0.60) NPSR1RXFP1ADORA2AADORA1TSHR
SCHEMBL12888472 0.74 CYP1A2 (0.42) TRPV1CYP1A2ABL1
SCHEMBL11913443 0.73 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL11913445 0.73 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL4251648 0.72 ADORA1 (0.46) ADORA2AADORA1TYMSTRPA1
SCHEMBL12888333 0.71 ABL1 (0.44) TRPV1CYP1A2ABL1
SCHEMBL4251467 0.71 ABL1 (0.43) ADORA2AADORA1ABL1TYMS

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 TRPV1 2865/4885NPSR1 1646/4885RXFP1 3980/4885

“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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