SCHEMBL790776

SCHEMBL790776

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.54
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
TRPV1 Q8NER1 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
OXTR P30559 1/20 0.43
RAB9A P51151 3/20 0.43
GALR3 O60755 1/20 0.43
MAPK1 P28482 1/20 0.43
ALOX15 P16050 1/20 0.43
MLNR O43193 1/20 0.42
P2RX3 P56373 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B1 P14061 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
SCHEMBL790963 0.90 TRPV1 (0.46) LIPEKMT2AMAPTTRPV1HRH3
SCHEMBL790834 0.90 HSD17B1 (0.52) LIPEKMT2AMAPTTRPV1OXTR
SCHEMBL789609 0.90 HSD17B1 (0.52) LIPEKMT2AMAPTTRPV1OXTR
SCHEMBL12978085 0.89 HSD17B1 (0.54) LIPEKMT2AMAPTTRPV1OXTR
SCHEMBL791674 0.89 TRPV1 (0.47) LIPEKMT2AMAPTTRPV1OXTR
SCHEMBL789585 0.88 HRH3 (0.50) LIPEKMT2AMAPTTRPV1HRH3
SCHEMBL791062 0.88 HRH3 (0.48) LIPEKMT2AMAPTTRPV1HRH3
SCHEMBL12978060 0.88 LMNA (0.51) LIPEKMT2AMAPTTRPV1OXTR
SCHEMBL790921 0.87 RAB9A (0.59) LIPEMAPTTRPV1RAB9AGALR3
SCHEMBL791850 0.87 TRPV1 (0.47) LIPEKMT2AMAPTTRPV1OXTR

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 4781/4885KMT2A 1030/4885MAPT 1987/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR LIPE 3068/4885KMT2A 412/4885MAPT 3480/4885

“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.