SCHEMBL790254

SCHEMBL790254

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 6/20 0.47
RAB9A P51151 1/20 0.46
HSPB1 P04792 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
POLB P06746 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL791037 0.87 HTT (0.49) ALDH1A1SMN1; SMN2MAPTRAB9AHSPB1
SCHEMBL790834 0.86 HSD17B1 (0.52) ALDH1A1MAPTRAB9AKMT2ATRPV1
SCHEMBL789609 0.86 HSD17B1 (0.52) ALDH1A1MAPTRAB9AKMT2ATRPV1
SCHEMBL12978085 0.85 HSD17B1 (0.54) ALDH1A1MAPTRAB9AKMT2ATRPV1
SCHEMBL791674 0.85 TRPV1 (0.47) MAPTRAB9AKMT2ATRPV1
SCHEMBL790776 0.85 LIPE (0.54) MAPTRAB9AKMT2ATRPV1LMNA
SCHEMBL7370263 0.84 TRPV1 (0.57) ALDH1A1SMN1; SMN2MAPTKMT2ATRPV1
SCHEMBL12978070 0.84 TRPV1 (0.44) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL12978060 0.84 LMNA (0.51) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL790921 0.83 RAB9A (0.59) ALDH1A1MAPTRAB9ATRPV1POLB

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 ALDH1A1 1153/4885SMN1; SMN2 1928/4885MAPT 1987/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR ALDH1A1 551/4885SMN1; SMN2 2519/4885MAPT 3480/4885

“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.