SCHEMBL790954

SCHEMBL790954

CCN(C(=O)c1ccc(Oc2nc(OC)cc(OC)n2)nc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
OXTR P30559 9/20 0.42
AVPR1A P37288 2/20 0.40
AVPR2 P30518 1/20 0.39
MLNR O43193 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL12978162 0.89 HTT (0.52) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790147 0.88 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978145 0.88 SMN1; SMN2 (0.59) HTTSMN1; SMN2CYP3A4CYP2C9CYP2B6
SCHEMBL791051 0.87 HTT (0.50) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790703 0.87 OXTR (0.49) SMN1; SMN2OXTRAVPR1AKDM4E
SCHEMBL791415 0.85 HTT (0.54) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978149 0.82 HTT (0.49) HTTSMN1; SMN2CYP3A4CYP2C9CYP2B6
SCHEMBL12978170 0.82 HTT (0.56) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789977 0.82 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790599 0.82 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 5 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
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US 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 (2 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 1901/4885SMN1; SMN2 1928/4885CYP3A4 642/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885SMN1; SMN2 2519/4885CYP3A4 87/4885

“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.