SCHEMBL790891

SCHEMBL790891

CN(C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)nc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
MDM2 Q00987 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM8 O00222 1/20 0.45
GRM7 Q14831 1/20 0.45
GRM4 Q14833 1/20 0.45
GPBAR1 Q8TDU6 2/20 0.45
TRPV1 Q8NER1 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL789610 0.92 GPBAR1 (0.54) HPGDSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL790837 0.89 HRH3 (0.48) MAPTNPC1HTTRAB9AGPBAR1
SCHEMBL790165 0.88 HTT (0.50) HPGDSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL790001 0.88 SLC22A12 (0.41) HPGDSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL790776 0.85 LIPE (0.54) MAPTNPC1RAB9AL3MBTL1TRPV1
SCHEMBL789585 0.84 HRH3 (0.50) ALDH1A1MAPTRAB9ATRPV1KMT2A
SCHEMBL790963 0.84 TRPV1 (0.46) MAPTNPC1RAB9AL3MBTL1GPBAR1
SCHEMBL12978072 0.83 TRPV1 (0.47) MAPTRAB9ATRPV1KMT2ALIPE
SCHEMBL791062 0.82 HRH3 (0.48) MAPTNPC1RAB9AGPBAR1TRPV1
SCHEMBL790235 0.81 HTT (0.49) HPGDSMN1; SMN2ALDH1A1MAPTHTT

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 HPGD 1975/4885SMN1; SMN2 1928/4885ALDH1A1 1153/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HPGD 977/4885SMN1; SMN2 2519/4885ALDH1A1 551/4885

“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.