SCHEMBL790992

SCHEMBL790992

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LIPE Q05469 3/20 0.43
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.39
SCN9A Q15858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCHE P06276 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
TP53 P04637 1/20 0.38
MLYCD O95822 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL790803 0.89 HTT (0.49) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL789627 0.88 LIPE (0.47) LIPECYP19A1SCN9ATDP1TP53
SCHEMBL790218 0.85 LIPE (0.50) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL791303 0.85 HTT (0.45) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL790798 0.84 ALDH1A1 (0.46) HTTLIPECYP2C9CYP3A4CYP2B6
SCHEMBL790148 0.84 HTT (0.50) HTTCYP19A1CYP2C9CYP3A4CYP2B6
SCHEMBL790175 0.76 LIPE (0.53) LIPECYP2C9SCN9ATP53LMNA
SCHEMBL789618 0.76 HRH3 (0.50) HTTCYP2C9CYP3A4CYP2B6CYP2C19
SCHEMBL15093420 0.76 CYP11B1 (0.63) TP53TSHR
SCHEMBL791898 0.75 HTT (0.53) HTTLIPECYP2C9CYP3A4CYP2B6

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 4781/4885CYP19A1 1853/4885

“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.