SCHEMBL789593

SCHEMBL789593

CCN(C(=O)c1cnc(Sc2nccc(C)n2)c(Cl)c1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.34
S1PR1 P21453 3/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK1 Q15118 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL15093566 0.93 HTT (0.47) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978140 0.89 TRPV1 (0.43) SMN1; SMN2GAATRPV1ALOX15KMT2A
SCHEMBL15093439 0.88 HTT (0.46) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791893 0.83 HTT (0.51) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978098 0.81 TRPV1 (0.44) HTTSMN1; SMN2TRPV1ALOX15KMT2A
SCHEMBL789936 0.78 TRPV1 (0.47) SMN1; SMN2TRPV1TSHRKMT2AGRM5
SCHEMBL790233 0.77 NPC1 (0.55) TSHR
SCHEMBL12978169 0.76 HTT (0.52) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978139 0.76 TRPV1 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL12978156 0.75 HTT (0.53) 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 1901/4885CYP3A4 642/4885CYP2C9 1710/4885

“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.