SCHEMBL935733

SCHEMBL935733

CC(=O)NCc1ccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
SYK P43405 1/20 0.38
WDR91 A4D1P6 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
VHL P40337 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIA2 P42262 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
PTPN1 P18031 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL27898930 0.91 KDM4E (0.38) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL854560 0.87 SYK (0.46) PDK2SYKSMN1; SMN2RAB9ANPC1
SCHEMBL926057 0.86 EPHX2 (0.35) PDK2SYKSMN1; SMN2RAB9ANPC1
SCHEMBL12905098 0.84 PDK2 (0.39) PDK2SYKSMN1; SMN2RAB9ANPC1
SCHEMBL926161 0.81 PDK2 (0.39) PDK2MAPT
SCHEMBL926272 0.81 TAAR1 (0.35)
SCHEMBL1862331 0.80 WDR91 (0.39) PDK2SYKWDR91SMN1; SMN2RAB9A
SCHEMBL3749108 0.77 NPC1 (0.37) SMN1; SMN2RAB9ANPC1
SCHEMBL855478 0.77 PSD (0.30)
SCHEMBL926493 0.77 KCNJ6 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 WO disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 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-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 PDK2 1748/4885SYK 4768/4885WDR91 49/4885

“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.