SCHEMBL19608697

SCHEMBL19608697

C=C(Nc1ccc(C)cc1F)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ABCB1 P08183 6/20 0.50
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP2C19 P33261 2/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCC1 P33527 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL19608699 0.84 GAA (0.72) GAAABCB1TDP1EGFRPTGS2
SCHEMBL24933726 0.76 TDP1 (0.54) GAATDP1KMT2ACYP2C19CYP1A2
SCHEMBL21020826 0.72 MEN1 (0.43) GAAKMT2AGFERCYP1A2RAB9A
SCHEMBL21020825 0.71 CSNK2A1 (0.43) GAATDP1KMT2ANPSR1KDM4E
SCHEMBL18086524 0.70 HDAC1 (0.68) GAAABCB1TDP1CYP2C19GFER
SCHEMBL21019686 0.70 RAB9A (0.42) KMT2ANPSR1KDM4EL3MBTL1RAB9A
SCHEMBL14880185 0.69 CYP2C19 (0.67) GAATDP1KMT2ACYP2C19GFER
SCHEMBL14062228 0.69 GAA (0.76) GAAABCB1CYP2C19L3MBTL1CYP1A2
SCHEMBL29393380 0.69 GAA (0.76) GAAABCB1CYP2C19L3MBTL1CYP1A2
SCHEMBL9921622 0.69 ALDH1A1 (0.52) GAATDP1CYP2C19CYP1A2CYP3A4

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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 GAA 2397/4885ABCB1 2710/4885TDP1 3842/4885

“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.