SCHEMBL9977540

SCHEMBL9977540

O=c1n(Cc2ccc(C(F)(F)F)cc2)c2ccccc2n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.56
CFTR P13569 1/20 0.52
CHRM5 P08912 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC11 Q96DB2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
DRD2 P14416 1/20 0.47
PPARG P37231 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HCRTR2 O43614 1/20 0.44
ALOX5AP P20292 1/20 0.44

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
SCHEMBL9977523 0.92 P2RX3 (0.50) P2RX3CFTRCHRM5HDAC1HDAC8
Hydrochloric Acid SCHEMBL4594293 0.91 P2RX3 (0.49) P2RX3CFTRCHRM5HDAC1HDAC8
SCHEMBL4595405 0.87 KMT2A (0.59) P2RX3CFTRPPARGMEN1KMT2A
SCHEMBL4595154 0.84 KIF11 (0.55) P2RX3CFTRCHRM5HDAC1HDAC8
SCHEMBL10234498 0.83 P2RX3 (0.45) P2RX3CFTRCHRM5HDAC1HDAC8
SCHEMBL4870762 0.83 KMT2A (0.61) L3MBTL1MEN1KMT2AALDH1A1HCRTR2
SCHEMBL31016081 0.80 HDAC1 (0.61) P2RX3CFTRCHRM5HDAC1HDAC8
SCHEMBL9977495 0.79 MEN1 (0.47) P2RX3CHRM5L3MBTL1MEN1KMT2A
SCHEMBL4595255 0.79 LMNA (0.69) CFTRHDAC1HDAC8HDAC6PPARG
SCHEMBL24031079 0.78 HDAC1 (0.81) HDAC1HDAC8HDAC6HDAC11

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 P2RX3 3/4885CFTR 1222/4885CHRM5 1089/4885

“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.