SCHEMBL790737

SCHEMBL790737

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.55
MLYCD O95822 1/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NAPRT Q6XQN6 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 6/20 0.44
NOTUM Q6P988 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.43
CYP2A6 P11509 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL790740 0.86 TRPV1 (0.57) TRPV1MLYCDKMT2AKDM4EALDH1A1
SCHEMBL4067469 0.85 KMT2A (0.55) KMT2AKDM4ENAPRTALDH1A1MEN1
SCHEMBL790267 0.83 HTT (0.64) TRPV1KMT2ANAPRTALDH1A1MEN1
SCHEMBL789948 0.81 TRPV1 (0.53) TRPV1MLYCDKMT2AKDM4EALDH1A1
SCHEMBL791150 0.81 OXTR (0.62) TRPV1MLYCDKMT2AKDM4EALDH1A1
SCHEMBL789917 0.80 BRAF (0.47) TRPV1MLYCDKMT2AKDM4EALDH1A1
SCHEMBL4070692 0.80 KCNQ3 (0.51) KMT2ANAPRTALDH1A1MEN1MAPT
SCHEMBL12978072 0.80 TRPV1 (0.47) TRPV1MLYCDKMT2AKDM4EMAPT
SCHEMBL790776 0.80 LIPE (0.54) TRPV1KMT2AMAPTL3MBTL1HSD17B10
SCHEMBL6237453 0.79 KDM4E (0.68) TRPV1MLYCDKMT2AKDM4EALDH1A1

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 8 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
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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 TRPV1 1012/4885MLYCD 2218/4885KMT2A 1030/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR TRPV1 2769/4885MLYCD 654/4885KMT2A 412/4885

“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.