SCHEMBL791898

SCHEMBL791898

CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
MLNR O43193 1/20 0.47
KMT2A Q03164 2/20 0.46
LIPE Q05469 2/20 0.46
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
S1PR1 P21453 1/20 0.42
P2RX3 P56373 5/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
ALOX15 P16050 1/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 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
SCHEMBL789288 0.91 HTT (0.52) HTTMLNRKMT2ALIPEMAPT
SCHEMBL791845 0.91 HTT (0.54) HTTMLNRKMT2AMAPTCYP3A4
SCHEMBL791415 0.91 HTT (0.54) HTTMLNRKMT2AMAPTCYP3A4
SCHEMBL789621 0.90 HTT (0.53) HTTMLNRKMT2AMAPTHRH3
SCHEMBL790738 0.89 HTT (0.50) HTTMLNRKMT2ALIPEMAPT
SCHEMBL791154 0.89 HTT (0.50) HTTMLNRKMT2ALIPEMAPT
SCHEMBL13095772 0.88 HTT (0.51) HTTMLNRKMT2AMAPTCYP3A4
SCHEMBL789979 0.88 RAB9A (0.53) HTTMLNRMAPTCYP3A4CYP2C9
SCHEMBL15093128 0.88 HTT (0.53) HTTMLNRKMT2AMAPTHRH3
SCHEMBL790165 0.87 HTT (0.50) HTTKMT2AMAPTCYP3A4CYP2C9

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 HTT 1901/4885MLNR 3334/4885KMT2A 1030/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885MLNR 2568/4885KMT2A 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.