SCHEMBL790936

SCHEMBL790936

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 4/20 0.52
GAA P10253 4/20 0.52
NPC1 O15118 1/20 0.52
TNF P01375 1/20 0.52
NOD1 Q9Y239 1/20 0.52
MAPK1 P28482 3/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
LIPE Q05469 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLQ O75417 1/20 0.46
GALR3 O60755 1/20 0.46
MLYCD O95822 1/20 0.45
P2RY1 P47900 1/20 0.45

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
SCHEMBL790967 0.92 RAB9A (0.52) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL791001 0.89 RAB9A (0.58) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL790255 0.88 LIPE (0.47) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL12978080 0.88 RAB9A (0.57) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL791163 0.88 RAB9A (0.50) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL789965 0.86 HSD17B1 (0.57) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL12978161 0.85 RAB9A (0.48) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL789585 0.85 HRH3 (0.50) RAB9AMAPK1MAPTALDH1A1LIPE
SCHEMBL791129 0.83 LIPE (0.46) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL790566 0.82 MLNR (0.58) RAB9AMAPK1MAPTGALR3

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 RAB9A 1112/4885L3MBTL1 818/4885GAA 4836/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885L3MBTL1 1263/4885GAA 2373/4885

“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.