SCHEMBL790001

SCHEMBL790001

CN(C(=O)c1ccc(Oc2ccc(Cl)cc2C#N)nc1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
SCN9A Q15858 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
MLNR O43193 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
LIPE Q05469 1/20 0.38
HTR2C P28335 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL790641 0.88 HTT (0.45) SLC22A12SCN9AMLNRPTGDR2KMT2A
SCHEMBL790953 0.88 MAPK14 (0.46) TRPV1MLNRGPBAR1KMT2AHTR2C
SCHEMBL790891 0.88 HPGD (0.47) TRPV1GPBAR1MAPTKMT2ALIPE
SCHEMBL789610 0.85 GPBAR1 (0.54) SCN9ATRPV1MLNRGPBAR1MAPT
SCHEMBL790776 0.81 LIPE (0.54) TRPV1MLNRMAPTKMT2ALIPE
SCHEMBL789585 0.81 HRH3 (0.50) TRPV1MLNRMAPTKMT2ALIPE
SCHEMBL790963 0.80 TRPV1 (0.46) TRPV1MLNRGPBAR1MAPTKMT2A
SCHEMBL790837 0.80 HRH3 (0.48) TRPV1MLNRGPBAR1MAPTKMT2A
SCHEMBL789957 0.79 CYP11B2 (0.54) SLC22A12MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL790934 0.79 MLNR (0.46) TRPV1MLNRMAPTLIPENPC1

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 SLC22A12 3298/4885SCN9A 1792/4885TRPV1 1012/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR SLC22A12 4463/4885SCN9A 818/4885TRPV1 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.