SCHEMBL791303

SCHEMBL791303

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LIPE Q05469 2/20 0.44
ABL1 P00519 7/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
PDK1 Q15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GRM2 Q14416 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 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
SCHEMBL790218 0.91 LIPE (0.50) HTTLIPECYP3A4CYP2C9CYP2B6
SCHEMBL790803 0.89 HTT (0.49) HTTLIPECYP3A4CYP2C9CYP2B6
SCHEMBL789940 0.88 LIPE (0.50) LIPEABL1SMN1; SMN2KMT2AATM
SCHEMBL790992 0.85 HTT (0.45) HTTLIPECYP3A4CYP2C9CYP2B6
SCHEMBL790798 0.84 ALDH1A1 (0.46) HTTLIPECYP3A4CYP2C9CYP2B6
SCHEMBL791781 0.84 HTT (0.50) HTTLIPEABL1CYP3A4CYP2C9
SCHEMBL790794 0.78 LIPE (0.57) LIPELMNASMN1; SMN2KMT2AATM
SCHEMBL789980 0.78 HTT (0.47) HTTLIPECYP3A4CYP2C9CYP2B6
SCHEMBL789695 0.77 LIPE (0.42) HTTLIPEABL1LMNAPDK1
SCHEMBL790175 0.76 LIPE (0.53) LIPECYP2C9LMNASMN1; SMN2KMT2A

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 4781/4885ABL1 4030/4885

“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.