SCHEMBL3553554

SCHEMBL3553554

COC(=O)C(C)(O)c1c(C#N)nn(-c2ccc(OC(F)(F)F)c(Cl)c2Cl)c1N=CN(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1751776 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1751778 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1752015 0.80 GABRB3 (0.40) ALDH1A1HPGDTDP1
SCHEMBL1752016 0.80 GABRB3 (0.40) ALDH1A1HPGDTDP1
SCHEMBL4962616 0.73 ALDH1A1 (0.32) ALDH1A1HPGDTDP1
SCHEMBL4963345 0.70 GABRP (0.42) ALDH1A1HPGDTDP1
SCHEMBL1752246 0.67 GABRB3 (0.39) ALDH1A1HPGD
SCHEMBL1752247 0.67 GABRB3 (0.39) ALDH1A1HPGD
SCHEMBL2000168 0.67 GABRB3 (0.43) ALDH1A1HPGDTDP1
SCHEMBL2001894 0.64 GABRB3 (0.42) ALDH1A1HPGDTDP1

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-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 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-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 ALDH1A1 559/4885HPGD 3207/4885TDP1 2780/4885

“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.