SCHEMBL9977532

SCHEMBL9977532

Nc1ccc(Cn2c(=O)n(Cc3ccc(N)cc3)c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.47
P2RX4 Q99571 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PGR P06401 1/20 0.45
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
C5AR1 P21730 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL9977542 0.92 MEN1 (0.61) KMT2AMEN1L3MBTL1GAAP2RX4
SCHEMBL4594358 0.87 KMT2A (0.54) HTR6KMT2AMEN1GAALMNA
SCHEMBL9977523 0.87 P2RX3 (0.50) HTR6L3MBTL1SMN1; SMN2HDAC1HDAC11
Hydrochloric Acid SCHEMBL4594293 0.86 P2RX3 (0.49) HTR6L3MBTL1SMN1; SMN2HDAC1HDAC11
SCHEMBL4594276 0.84 TYMS (0.45) KMT2AMEN1P2RX4
SCHEMBL28722865 0.78 CYP19A1 (0.70) HTR6KMT2AMEN1P2RX4MAPT
SCHEMBL22700958 0.78 KMT2A (0.47) KMT2AMEN1L3MBTL1GAAP2RX4
SCHEMBL7360640 0.78 PLAU (0.56) KMT2AMEN1GAAHDAC1HDAC11
SCHEMBL9977540 0.77 P2RX3 (0.56) KMT2AMEN1L3MBTL1HDAC1HDAC11
SCHEMBL7359654 0.77 PRMT5 (0.57) KMT2AMEN1L3MBTL1LMNASMN1; SMN2

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 5 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
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

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 HTR6 1320/4885KMT2A 4782/4885MEN1 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.