SCHEMBL3102183

SCHEMBL3102183

Fc1ccc(C#Cc2ccnc(Cl)n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
TRPV3 Q8NET8 1/20 0.40
FFAR1 O14842 1/20 0.39
GRM5 P41594 5/20 0.38
NR3C2 P08235 1/20 0.32
KMO O15229 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TRPA1 O75762 2/20 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
SCHEMBL670749 0.80 FFAR1 (0.37) FFAR1EGFRERBB2
SCHEMBL708798 0.78 FFAR1 (0.56) TRPV3FFAR1GRM5TRPV1
SCHEMBL3245685 0.74 ALDH1A1 (0.46) PTGDR2TRPV3FFAR1GRM5NR3C2
SCHEMBL13989104 0.71 FFAR1 (0.43) FFAR1GRM5
SCHEMBL4865263 0.71 GRM5 (0.50) FFAR1GRM5
SCHEMBL12537945 0.68 TRPV3 (0.46) PTGDR2TRPV3GRM5NR3C2
SCHEMBL13138542 0.68 FFAR1 (0.44) FFAR1GRM5
SCHEMBL10020217 0.67 GRM4 (0.64) FFAR1GRM5
SCHEMBL3753115 0.66 CYP11B2 (0.58) KMO
SCHEMBL29998142 0.66 CYP11B2 (0.58) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed
EP-2217600-A2 FUNGICIDAL BICYCLIC PYRAZOLES E. I. du Pont de Nemours and Company (US) 2010-08-18 EP disclosed
WO-2009076440-A2 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-18 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-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 PTGDR2 2840/4885TRPV3 2741/4885FFAR1 1476/4885

“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.