SCHEMBL4594153

SCHEMBL4594153

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
P2RX4 Q99571 1/20 0.54
PKM P14618 1/20 0.48
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.45
CFTR P13569 1/20 0.43
MAPT P10636 5/20 0.43
MITF O75030 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SRC P12931 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
NOX4 Q9NPH5 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
SCHEMBL9977495 0.88 MEN1 (0.47) KMT2AP2RX4ALDH1A1
SCHEMBL4875253 0.85 KMT2A (0.71) KMT2AP2RX4PKMTHRBLMNA
SCHEMBL4595405 0.84 KMT2A (0.59) KMT2AP2RX4THRBLMNACFTR
SCHEMBL4594276 0.82 TYMS (0.45) KMT2AP2RX4ALDH1A1
SCHEMBL4593864 0.79 KMT2A (0.62) KMT2AP2RX4PKMTHRBLMNA
SCHEMBL693976 0.77 HSPB1 (0.55) KMT2APKMTHRBLMNAMAPT
SCHEMBL4595516 0.75 KIF11 (0.57) KMT2ALMNAHTTKDM4ESMN1; SMN2
SCHEMBL12952828 0.73 CA12 (0.61) KMT2ALMNAMAPTNPSR1TP53
SCHEMBL1242136 0.72 PGR (0.52) KMT2ALMNAMAPTNPSR1HTT
SCHEMBL1241412 0.72 HSPB1 (0.65) KMT2ALMNAMAPTNPSR1HTT

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 10 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
EP-1874733-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES AND THE USE THEREOF AS VANILLOID RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2008-01-09 EP disclosed
WO-2006111346-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES AND THE USE THEREOF AS VANILLOID RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2006-10-26 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-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 4/4885PKM 3105/4885

“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.