SCHEMBL790472

SCHEMBL790472

CCN(C(=O)c1ccc(Sc2ccc(C(F)(F)F)cn2)nc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
MLYCD O95822 2/20 0.43
CYP3A4 P08684 5/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2B6 P20813 1/20 0.41
POLQ O75417 2/20 0.41
VNN1 O95497 1/20 0.40
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL790541 0.92 HTT (0.50) HTTMLYCDCYP3A4CYP2C9CYP2C19
SCHEMBL790745 0.86 MLYCD (0.52) MLYCDCYP3A4POLQVNN1RAB9A
SCHEMBL790656 0.84 HTT (0.57) HTTMLYCDCYP3A4CYP2C9CYP2C19
SCHEMBL791684 0.82 HTT (0.61) HTTMLYCDCYP3A4CYP2C9CYP2C19
SCHEMBL789613 0.81 HTT (0.54) HTTCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL789592 0.81 HTT (0.54) HTTCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL790481 0.80 RAB9A (0.52) HTTMLYCDRAB9A
SCHEMBL12978205 0.80 HTT (0.52) HTTCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL12978169 0.80 HTT (0.52) HTTCYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL791734 0.79 HTT (0.51) HTTCYP3A4CYP2C9CYP2C19CYP2B6

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 1901/4885MLYCD 2218/4885CYP3A4 642/4885

“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.