SCHEMBL14617482

SCHEMBL14617482

Cc1ncn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXRA P19793 5/20 0.45
GRIN1 Q05586 5/20 0.45
GRIN2B Q13224 5/20 0.45
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PDE2A O00408 2/20 0.40
CACNA2D1 P54289 2/20 0.39
PTGS2 P35354 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.38
SCN5A Q14524 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK10 P53779 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL14617483 0.88 RXRA (0.38) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL18586496 0.81 RXRA (0.43) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL18581113 0.81 RXRA (0.42) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL10360384 0.81 RXRA (0.42) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL14577291 0.81 RXRA (0.42) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL18617907 0.80 RXRA (0.47) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL17380337 0.80 RXRA (0.43) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL16202001 0.80 CYP1A2 (0.48) POLBMAPTPTGS2SMN1; SMN2MAPK10
SCHEMBL29559805 0.79 MAPT (0.46) POLBL3MBTL1RXRAGRIN1GRIN2B
SCHEMBL16202025 0.78 KCNH2 (0.42) PTGS2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023572-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-02-23 WO disclosed
WO-2017040194-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 WO disclosed
US-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 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-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, CAT POLB 4373/4885L3MBTL1 3362/4885RXRA 1799/4885

“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.