SCHEMBL790934

SCHEMBL790934

CN(C(=O)c1ccc(Oc2ccc(C#N)cc2)nc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.46
CYP19A1 P11511 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
LIPE Q05469 2/20 0.41
OXTR P30559 1/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GALR3 O60755 1/20 0.41
MAPK1 P28482 1/20 0.41
ITK Q08881 1/20 0.41
MAPT P10636 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 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
SCHEMBL790566 0.89 MLNR (0.58) MLNRTRPV1OXTRRAB9AHSD17B10
SCHEMBL789609 0.87 HSD17B1 (0.52) TRPV1LIPEOXTRRAB9ATP53
SCHEMBL790834 0.87 HSD17B1 (0.52) MLNRTRPV1LIPEOXTRRAB9A
SCHEMBL790148 0.87 HTT (0.50) MLNRCYP19A1CYP11B1CYP11B2OXTR
SCHEMBL12978085 0.86 HSD17B1 (0.54) TRPV1LIPEOXTRRAB9ATP53
SCHEMBL791674 0.86 TRPV1 (0.47) MLNRTRPV1LIPEOXTRRAB9A
SCHEMBL790776 0.86 LIPE (0.54) MLNRTRPV1LIPEOXTRRAB9A
SCHEMBL12978060 0.85 LMNA (0.51) CYP19A1TRPV1CYP11B1CYP11B2LIPE
SCHEMBL790921 0.84 RAB9A (0.59) TRPV1LIPERAB9ANPC1GALR3
SCHEMBL791850 0.84 TRPV1 (0.47) MLNRTRPV1LIPEOXTRRAB9A

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 MLNR 3334/4885CYP19A1 1853/4885TRPV1 1012/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MLNR 2568/4885CYP19A1 726/4885TRPV1 2769/4885

“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.