SCHEMBL4595458

SCHEMBL4595458

O=C1NCCCN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
KCNJ1 P48048 3/20 0.48
CHRNA1 P02708 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
KCNH2 Q12809 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL29283174 0.92 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL10875542 0.82 CHRNA1 (0.69) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL4786883 0.80 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL29283175 0.79 KCNJ1 (0.61) KCNJ1KCNH2HRH3
SCHEMBL5625428 0.79 L3MBTL1 (0.62) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL4572872 0.79 L3MBTL1 (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL13964371 0.78 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL1913731 0.78 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL4619569 0.78 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL31011703 0.78 KDM4E (0.57) SMN1; SMN2ALDH1A1POLBKDM4EMAPT

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 SMN1; SMN2 1202/4885ALDH1A1 2513/4885POLB 4446/4885

“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.