SCHEMBL789980

SCHEMBL789980

CCN(C(=O)c1ccc(Oc2cccc(OC(F)(F)F)c2)nc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LIPE Q05469 1/20 0.46
GRM2 Q14416 2/20 0.45
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MLNR O43193 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GALR3 O60755 1/20 0.39
NAMPT P43490 1/20 0.39
PDK1 Q15118 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL791781 0.92 HTT (0.50) HTTLIPERAB9ANPC1TNF
SCHEMBL791163 0.89 RAB9A (0.50) HTTLIPERAB9ANPC1TNF
SCHEMBL790255 0.88 LIPE (0.47) LIPEGRM2RAB9ANPC1TNF
SCHEMBL789962 0.87 HTT (0.51) HTTRAB9AMAPK1CYP3A4CYP2C9
SCHEMBL790738 0.86 HTT (0.50) HTTLIPECYP3A4CYP2C9CYP2B6
SCHEMBL15093062 0.85 HTT (0.49) HTTLIPERAB9ANPC1TNF
SCHEMBL789695 0.84 LIPE (0.42) HTTLIPEGRM2RAB9ANPC1
SCHEMBL790481 0.84 RAB9A (0.52) HTTLIPERAB9ANPC1TNF
SCHEMBL15093434 0.84 HTT (0.50) HTTLIPERAB9ANPC1TNF
SCHEMBL789618 0.83 HRH3 (0.50) HTTCYP3A4CYP2C9CYP2B6CYP2C19

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 4781/4885GRM2 5/4885

“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.