SCHEMBL4595255

SCHEMBL4595255

O=c1[nH]c2ccccc2n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.69
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.53
HSP90AA1 P07900 1/20 0.52
APOBEC3G Q9HC16 1/20 0.50
ABCB11 O95342 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL4594603 0.86 LMNA (0.69) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL2762074 0.85 LMNA (0.81) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL31325551 0.84 LMNA (0.75) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL4595781 0.82 LMNA (0.64) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL4917013 0.82 LMNA (1.00) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL23997482 0.81 LMNA (0.75) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL30345072 0.81 LMNA (0.75) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL25720123 0.81 LMNA (0.75) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL23997276 0.81 LMNA (0.75) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL4915141 0.81 LMNA (0.70) LMNAHTTMEN1CYP1A2KMT2A

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 LMNA 4092/4885HTT 2844/4885MEN1 4718/4885

“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.