SCHEMBL13067968

SCHEMBL13067968

O=c1[nH]c(-c2cc(OCC(F)(F)CF)ccn2)no1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KMO O15229 1/20 0.39
RAF1 P04049 7/20 0.35
MGAT2 Q10469 1/20 0.33
PLA2G2A P14555 6/20 0.32
PLA2G10 O15496 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G5 P39877 1/20 0.31
BPGM P07738 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
SCHEMBL2340435 0.89 ALDH1A1 (0.42) ALDH1A1KMORAF1MGAT2PLA2G2A
SCHEMBL2332600 0.87 KMO (0.42) ALDH1A1KMORAF1MGAT2PLA2G2A
SCHEMBL1935072 0.77 LNPEP (0.42) ALDH1A1KMO
SCHEMBL2337288 0.76 ALDH1A1 (0.40) ALDH1A1KMORAF1PLA2G2APLA2G10
SCHEMBL1935085 0.74 RAF1 (0.50) ALDH1A1RAF1
SCHEMBL2338601 0.74 KMO (0.45) ALDH1A1KMORAF1
SCHEMBL1935179 0.74 RAF1 (0.40) ALDH1A1KMORAF1
SCHEMBL2336517 0.74 KMO (0.42) ALDH1A1KMOPLA2G2A
SCHEMBL2335008 0.73 KMO (0.44) ALDH1A1KMORAF1
SCHEMBL2342381 0.70 KMO (0.41) ALDH1A1KMORAF1

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-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 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-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP ALDH1A1 2627/4885KMO 157/4885RAF1 601/4885

“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.