SCHEMBL790239

SCHEMBL790239

C=CCN(C(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
LIPE Q05469 2/20 0.40
SCN9A Q15858 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
ABL1 P00519 6/20 0.37
OPRM1 P35372 2/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL13095733 0.89 TSHR (0.41) PDK1SCN9ANPC1RAB9ATNF
SCHEMBL791781 0.88 HTT (0.50) PDK1LIPENPC1RAB9ATNF
SCHEMBL789695 0.86 LIPE (0.42) PDK1LIPENPC1RAB9ATNF
SCHEMBL12978089 0.85 LIPE (0.43) PDK1LIPENPC1RAB9ATNF
SCHEMBL791129 0.82 LIPE (0.46) LIPENPC1RAB9ATNFNOD1
SCHEMBL789980 0.80 HTT (0.47) PDK1LIPENPC1RAB9ATNF
SCHEMBL790481 0.78 RAB9A (0.52) LIPENPC1RAB9ATNFNOD1
SCHEMBL789990 0.76 HTT (0.44) PDK1NPC1RAB9AL3MBTL1TSHR
SCHEMBL791845 0.75 HTT (0.54) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL791415 0.75 HTT (0.54) NPC1RAB9AKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 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 (2 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C PDK1 3776/4885LIPE 4781/4885SCN9A 1792/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR PDK1 953/4885LIPE 3068/4885SCN9A 818/4885

“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.