SCHEMBL790738

SCHEMBL790738

CCN(C(=O)c1ccc(Oc2cccc(Cl)c2)nc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
HRH3 Q9Y5N1 3/20 0.48
GRM5 P41594 6/20 0.45
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MLNR O43193 1/20 0.41
S1PR1 P21453 1/20 0.41
LIPE Q05469 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
SCHEMBL789288 0.92 HTT (0.52) HTTHRH3CYP3A4CYP2C9CYP2B6
SCHEMBL789962 0.89 HTT (0.51) HTTHRH3GRM5CYP3A4CYP2C9
SCHEMBL791898 0.89 HTT (0.53) HTTHRH3CYP3A4CYP2C9CYP2B6
SCHEMBL791154 0.88 HTT (0.50) HTTHRH3CYP3A4CYP2C9CYP2B6
SCHEMBL789585 0.87 HRH3 (0.50) HRH3GRM5KCNH2ALDH1A1NPSR1
SCHEMBL790165 0.86 HTT (0.50) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789980 0.86 HTT (0.47) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789618 0.86 HRH3 (0.50) HTTHRH3GRM5KCNH2CYP3A4
SCHEMBL791163 0.86 RAB9A (0.50) HTTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL790235 0.85 HTT (0.49) 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 1901/4885HRH3 16/4885GRM5 47/4885

“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.