SCHEMBL790255

SCHEMBL790255

CN(C(=O)c1ccc(Oc2cccc(OC(F)(F)F)c2)nc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GALR3 O60755 1/20 0.43
MAPK1 P28482 1/20 0.43
MLYCD O95822 1/20 0.43
GRM2 Q14416 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
OXTR P30559 1/20 0.41
MLNR O43193 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ABL1 P00519 3/20 0.40
GAA P10253 1/20 0.39
GPBAR1 Q8TDU6 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
SCHEMBL791129 0.91 LIPE (0.46) LIPERAB9ANPC1TNFNOD1
SCHEMBL790936 0.88 RAB9A (0.55) LIPERAB9ANPC1TNFNOD1
SCHEMBL789980 0.88 HTT (0.47) LIPERAB9ANPC1TNFNOD1
SCHEMBL789965 0.86 HSD17B1 (0.57) LIPERAB9ANPC1TNFNOD1
SCHEMBL789585 0.85 HRH3 (0.50) LIPERAB9AGALR3MAPK1TRPV1
SCHEMBL790967 0.84 RAB9A (0.52) LIPERAB9ANPC1TNFNOD1
SCHEMBL791001 0.83 RAB9A (0.58) LIPERAB9ANPC1TNFNOD1
SCHEMBL12978161 0.83 RAB9A (0.48) LIPERAB9ANPC1TNFNOD1
SCHEMBL790566 0.82 MLNR (0.58) RAB9AGALR3MAPK1TRPV1OXTR
SCHEMBL12978080 0.82 RAB9A (0.57) LIPERAB9ANPC1TNFNOD1

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 LIPE 4781/4885RAB9A 1112/4885NPC1 2203/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR LIPE 3068/4885RAB9A 1806/4885NPC1 4631/4885

“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.