SCHEMBL789940

SCHEMBL789940

CN(C(=O)c1cnc(Oc2ccc(OC(F)(F)F)cc2)c(Cl)c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.50
ABL1 P00519 8/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GPBAR1 Q8TDU6 3/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MLYCD O95822 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL790794 0.90 LIPE (0.57) LIPERAB9AGPBAR1KMT2AATM
SCHEMBL790175 0.89 LIPE (0.53) LIPENPC1RAB9AGPBAR1KMT2A
SCHEMBL791303 0.88 HTT (0.45) LIPEABL1NPC1RAB9AKMT2A
SCHEMBL789627 0.84 LIPE (0.47) LIPENPC1RAB9AGPBAR1CYP11B1
SCHEMBL12978097 0.84 LIPE (0.47) LIPEGPBAR1KMT2ASMN1; SMN2
SCHEMBL790846 0.83 ALDH1A1 (0.46) LIPERAB9AKMT2AATMSMN1; SMN2
SCHEMBL12978272 0.83 TRPV1 (0.55) ABL1NPC1RAB9AGPBAR1KMT2A
SCHEMBL791129 0.83 LIPE (0.46) LIPEABL1NPC1RAB9AOPRM1
SCHEMBL790218 0.78 LIPE (0.50) LIPERAB9AGPBAR1KMT2AATM
SCHEMBL15093332 0.78 ABL1 (0.63) ABL1NPC1RAB9AOPRM1KCNH2

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 4781/4885ABL1 4030/4885NPC1 2203/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR LIPE 3068/4885ABL1 694/4885NPC1 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.