SCHEMBL791262

SCHEMBL791262

CCN(C(=O)c1ccc(N2CCCC2)nc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
RAB9A P51151 2/20 0.47
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2B6 P20813 1/20 0.44
UBE2T Q9NPD8 1/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL790999 0.99 HTT (0.55) HTTRAB9AKMT2AHSD17B10MEN1
SCHEMBL789619 0.90 HTT (0.53) HTTHSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL789607 0.85 TRPV1 (0.49) RAB9AKMT2AHSD17B10MEN1NPSR1
SCHEMBL791973 0.84 TRPV1 (0.48) RAB9AKMT2AHSD17B10MEN1NPSR1
SCHEMBL790234 0.81 HTT (0.67) HTTKMT2AHSD17B10MEN1NPSR1
SCHEMBL13095774 0.80 HTT (0.65) HTTKMT2AMEN1NPSR1CYP3A4
SCHEMBL790267 0.79 HTT (0.64) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL790147 0.77 HTT (0.61) HTTCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL789977 0.77 HTT (0.61) HTTKMT2AHSD17B10CYP3A4CYP2C9
SCHEMBL791684 0.77 HTT (0.61) HTTKMT2AMEN1NPSR1CYP3A4

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 1901/4885RAB9A 1112/4885KMT2A 1030/4885

“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.