SCHEMBL790846

SCHEMBL790846

CN(C(=O)c1cnc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LIPE Q05469 2/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL790175 0.88 LIPE (0.53) SMN1; SMN2LIPEKMT2ALMNATRPV1
SCHEMBL790798 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LIPEMAPTMEN1
SCHEMBL12978097 0.85 LIPE (0.47) ALDH1A1SMN1; SMN2LIPEMAPTKMT2A
SCHEMBL789940 0.83 LIPE (0.50) SMN1; SMN2LIPEKMT2AATMRAB9A
SCHEMBL790794 0.83 LIPE (0.57) SMN1; SMN2LIPEKMT2AATMLMNA
SCHEMBL789627 0.83 LIPE (0.47) LIPEPOLBTRPV1RAB9A
SCHEMBL790254 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7370263 0.80 TRPV1 (0.57) ALDH1A1SMN1; SMN2MAPTKMT2AATM
SCHEMBL15093415 0.78 CYP11B1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL790803 0.75 HTT (0.49) SMN1; SMN2LIPEMAPTLMNAGAA

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 1928/4885LIPE 4781/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR ALDH1A1 551/4885SMN1; SMN2 2519/4885LIPE 3068/4885

“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.