SCHEMBL791027

SCHEMBL791027

Cc1ccccc1Oc1ccc(C(=O)N(C)c2cccnc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.58
HTR2C P28335 2/20 0.49
TRPV1 Q8NER1 1/20 0.47
OXTR P30559 2/20 0.46
MLNR O43193 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 3/20 0.41
AVPR1A P37288 1/20 0.41
GALR3 O60755 1/20 0.41
MAPK1 P28482 1/20 0.41
MLYCD O95822 1/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CXCR1 P25024 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
SCHEMBL790837 0.88 HRH3 (0.48) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL791135 0.86 HTT (0.56) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL790953 0.85 MAPK14 (0.46) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL790834 0.83 HSD17B1 (0.52) NOTUMTRPV1OXTRMLNRKMT2A
SCHEMBL790482 0.83 HTR2C (0.51) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL791850 0.82 TRPV1 (0.47) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL791261 0.82 TRPV1 (0.47) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL791150 0.82 OXTR (0.62) NOTUMTRPV1OXTRKMT2AKDM4E
SCHEMBL790676 0.81 TRPV1 (0.46) NOTUMHTR2CTRPV1OXTRKMT2A
SCHEMBL790891 0.81 HPGD (0.47) NOTUMHTR2CTRPV1OXTRKMT2A

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 6 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
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 NOTUM 2669/4885HTR2C 123/4885TRPV1 1012/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR NOTUM 945/4885HTR2C 3115/4885TRPV1 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.