SCHEMBL790803

SCHEMBL790803

CCN(C(=O)c1cnc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
LIPE Q05469 4/20 0.48
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
P2RX3 P56373 2/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR1 P21453 1/20 0.39
RAB9A P51151 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
SCHEMBL790992 0.89 HTT (0.45) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL791303 0.89 HTT (0.45) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL790218 0.89 LIPE (0.50) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL790798 0.89 ALDH1A1 (0.46) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL790175 0.86 LIPE (0.53) LIPECYP2C9TSHRLMNAAPEX1
SCHEMBL791898 0.84 HTT (0.53) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL791154 0.78 HTT (0.50) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL790165 0.78 HTT (0.50) HTTCYP2C9CYP3A4CYP2B6CYP2C19
SCHEMBL789288 0.78 HTT (0.52) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL790235 0.77 HTT (0.49) HTTCYP2C9CYP3A4CYP2B6CYP2C19

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1901/4885LIPE 4781/4885CYP2C9 1710/4885

“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.