SCHEMBL790641

SCHEMBL790641

CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2C#N)nc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CYP3A4 P08684 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
SCN9A Q15858 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 1/20 0.36
XDH P47989 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL790165 0.89 HTT (0.50) HTTTSHRCYP3A4CYP2C9CYP2B6
SCHEMBL790001 0.88 SLC22A12 (0.41) HTTSLC22A12PTGDR2SCN9AKMT2A
SCHEMBL15093575 0.88 HTT (0.52) HTTTSHRCYP3A4CYP2C9CYP2B6
SCHEMBL790235 0.86 HTT (0.49) HTTTSHRCYP3A4CYP2C9CYP2B6
SCHEMBL791898 0.82 HTT (0.53) HTTTSHRCYP3A4CYP2C9CYP2B6
SCHEMBL790738 0.82 HTT (0.50) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789943 0.81 HTT (0.55) HTTTSHRCYP3A4CYP2C9CYP2B6
SCHEMBL789288 0.81 HTT (0.52) HTTTSHRCYP3A4CYP2C9CYP2B6
SCHEMBL790148 0.80 HTT (0.50) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789618 0.79 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 1901/4885TSHR 1290/4885SLC22A12 3298/4885

“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.