SCHEMBL791037

SCHEMBL791037

CCN(C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.43
MLNR O43193 1/20 0.42
HSPB1 P04792 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL790254 0.87 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL791415 0.87 HTT (0.54) HTTALDH1A1MAPTKMT2ARAB9A
SCHEMBL791845 0.87 HTT (0.54) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL789621 0.86 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL791898 0.86 HTT (0.53) HTTSMN1; SMN2MAPTKMT2AMLNR
SCHEMBL12978101 0.85 HTT (0.50) HTTALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL13095772 0.84 HTT (0.51) HTTMAPTKMT2ARAB9APOLB
SCHEMBL789979 0.84 RAB9A (0.53) HTTALDH1A1MAPTRAB9APOLB
SCHEMBL790798 0.84 ALDH1A1 (0.46) HTTALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL15093128 0.84 HTT (0.53) HTTMAPTKMT2ARAB9AMLNR

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 4 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

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 1901/4885ALDH1A1 1153/4885SMN1; SMN2 1928/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885ALDH1A1 551/4885SMN1; SMN2 2519/4885

“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.