SCHEMBL791845

SCHEMBL791845

CCN(C(=O)c1ccc(Oc2ccc(C)cc2)nc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
TRPM8 Q7Z2W7 2/20 0.46
MLNR O43193 1/20 0.45
MMP13 P45452 2/20 0.45
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.42
OXTR P30559 2/20 0.41
S1PR1 P21453 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL791415 0.92 HTT (0.54) HTTMLNRCYP3A4CYP2C19CYP2C9
SCHEMBL12978170 0.91 HTT (0.56) HTTTRPM8MLNRMMP13CYP3A4
SCHEMBL791898 0.91 HTT (0.53) HTTMLNRCYP3A4CYP2C19CYP2C9
SCHEMBL790599 0.91 HTT (0.53) HTTTRPM8MLNRCYP3A4CYP2C19
SCHEMBL789621 0.91 HTT (0.53) HTTTRPM8MLNRCYP3A4CYP2C19
SCHEMBL15093128 0.91 HTT (0.53) HTTTRPM8MLNRCYP3A4CYP2C19
SCHEMBL13095772 0.89 HTT (0.51) HTTMLNRCYP3A4CYP2C19CYP2C9
SCHEMBL789962 0.89 HTT (0.51) HTTMLNRCYP3A4CYP2C19CYP2C9
SCHEMBL789979 0.89 RAB9A (0.53) HTTMLNRCYP3A4CYP2C19CYP2C9
SCHEMBL12978101 0.88 HTT (0.50) HTTMLNRCYP3A4CYP2C19CYP2C9

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 1901/4885TRPM8 1007/4885MLNR 3334/4885

“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.