SCHEMBL791260

SCHEMBL791260

CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)nc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 11/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL789584 0.87 HTT (0.49) MAPTALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL789917 0.86 BRAF (0.47) TRPV1ALDH1A1CYP11B1CYP11B2KMT2A
SCHEMBL789921 0.86 TRPV1 (0.47) TRPV1ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7370263 0.84 TRPV1 (0.57) TRPV1MAPTALDH1A1CYP11B1CYP11B2
SCHEMBL791214 0.83 RAB9A (0.48) TRPV1MAPTALDH1A1MEN1KMT2A
SCHEMBL790174 0.82 MLYCD (0.50) TRPV1CYP3A4
SCHEMBL12978090 0.80 TRPV1 (0.50) TRPV1ALDH1A1KMT2AGAAKDM4E
SCHEMBL790254 0.80 ALDH1A1 (0.51) TRPV1MAPTALDH1A1CYP11B1CYP11B2
SCHEMBL789948 0.79 TRPV1 (0.53) TRPV1ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL789923 0.78 TRPV1 (0.46) TRPV1ALDH1A1KMT2AKDM4ECYP1A2

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 TRPV1 1012/4885MAPT 1987/4885ALDH1A1 1153/4885

“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.