SCHEMBL4875253

SCHEMBL4875253

O=c1n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
P2RX4 Q99571 1/20 0.70
THRB P10828 1/20 0.56
LMNA P02545 1/20 0.56
CFTR P13569 1/20 0.53
MAPT P10636 5/20 0.52
MITF O75030 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
XBP1 P17861 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SRC P12931 1/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
NOX4 Q9NPH5 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL4593864 0.89 KMT2A (0.62) KMT2AP2RX4THRBLMNACFTR
SCHEMBL4595405 0.89 KMT2A (0.59) KMT2AP2RX4THRBLMNACFTR
SCHEMBL4594153 0.85 KMT2A (0.56) KMT2AP2RX4THRBLMNACFTR
SCHEMBL31325511 0.80 P2RX4 (0.51) KMT2AP2RX4THRBLMNACFTR
SCHEMBL9977536 0.79 LMNA (0.68) KMT2AP2RX4LMNACFTRMAPT
SCHEMBL6510739 0.79 KMT2A (0.72) KMT2AP2RX4THRBLMNACFTR
SCHEMBL2774860 0.79 KMT2A (0.52) KMT2AP2RX4THRBLMNACFTR
SCHEMBL2774862 0.79 KMT2A (0.52) KMT2AP2RX4THRBLMNACFTR
SCHEMBL2774863 0.79 KMT2A (0.52) KMT2AP2RX4THRBLMNACFTR
SCHEMBL4223876 0.78 KMT2A (0.54) KMT2AP2RX4THRBCFTRMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207182-B2 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
US-8207182-B2 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
US-8207182-B2 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
EP-1874733-B1 SUBSTITUTED CYCLIC UREA DERIVATIVES AND THE USE THEREOF AS VANILLOID RECEPTOR 1 MODULATORS GRUENENTHAL GMBH (DE) 2012-06-20 EP disclosed
EP-1874733-B1 SUBSTITUTED CYCLIC UREA DERIVATIVES AND THE USE THEREOF AS VANILLOID RECEPTOR 1 MODULATORS GRUENENTHAL GMBH (DE) 2012-06-20 EP disclosed
US-20080090855-A1 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2008-04-17 US disclosed
US-20080090855-A1 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2008-04-17 US disclosed
US-20080090855-A1 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide GRUENENTHAL GMBH (DE) 2008-04-17 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 (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-20080090855-A1 capsaicin receptor; to treat neuropathic pain; N-[4-[3-(4-tert-butylbenzyl)-2-thioxo-imidazolidinylmethyl]phenyl]methanesulfonamide TRPV1, TRPA1, P2RX3 KMT2A 4782/4885P2RX4 4/4885THRB 968/4885

“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.