SCHEMBL790837

SCHEMBL790837

CN(C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
NOTUM Q6P988 2/20 0.47
HTR2C P28335 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
OXTR P30559 1/20 0.45
MLNR O43193 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
LIPE Q05469 1/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
GALR3 O60755 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 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
SCHEMBL790891 0.89 HPGD (0.47) NOTUMHTR2CTRPV1OXTRGPBAR1
SCHEMBL789610 0.89 GPBAR1 (0.54) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL12978072 0.88 TRPV1 (0.47) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL791027 0.88 NOTUM (0.58) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL789943 0.86 HTT (0.55) HRH3NOTUMMLNRKMT2APOLB
SCHEMBL790953 0.84 MAPK14 (0.46) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL790776 0.83 LIPE (0.54) HRH3TRPV1OXTRMLNRKMT2A
SCHEMBL791062 0.83 HRH3 (0.48) HRH3TRPV1OXTRMLNRGPBAR1
SCHEMBL790963 0.83 TRPV1 (0.46) HRH3NOTUMHTR2CTRPV1OXTR
SCHEMBL790164 0.83 TRPV1 (0.46) NOTUMHTR2CTRPV1OXTRMLNR

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 HRH3 16/4885NOTUM 2669/4885HTR2C 123/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HRH3 394/4885NOTUM 945/4885HTR2C 3115/4885

“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.