SCHEMBL791001

SCHEMBL791001

CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
TNF P01375 1/20 0.58
NOD1 Q9Y239 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LIPE Q05469 14/20 0.56
LMNA P02545 1/20 0.52
MLYCD O95822 1/20 0.50
GALR3 O60755 1/20 0.48
MAPK1 P28482 1/20 0.48
POLQ O75417 1/20 0.46

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
SCHEMBL12978080 0.99 RAB9A (0.57) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL790967 0.91 RAB9A (0.52) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL790921 0.91 RAB9A (0.59) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL791129 0.90 LIPE (0.46) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL790936 0.89 RAB9A (0.55) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL12978161 0.88 RAB9A (0.48) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL789609 0.87 HSD17B1 (0.52) RAB9ANPC1LIPELMNAGALR3
SCHEMBL790834 0.87 HSD17B1 (0.52) RAB9ANPC1LIPELMNAGALR3
SCHEMBL790481 0.87 RAB9A (0.52) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL12978085 0.86 HSD17B1 (0.54) RAB9ANPC1LIPELMNAGALR3

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 1112/4885NPC1 2203/4885TNF 4721/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885NPC1 4631/4885TNF 4843/4885

“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.