SCHEMBL4872878

SCHEMBL4872878

CC(C)(C)c1ccc(CN2C=CCN(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD11B1 P28845 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MDM2 Q00987 2/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
NR3C1 P04150 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KCNJ1 P48048 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4873365 0.83 HDAC6 (0.40) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL4872875 0.80 MAPT (0.51) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL4863746 0.77 TRPV1 (0.48)
SCHEMBL397351 0.71 HSD17B10 (0.56) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL4593864 0.70 KMT2A (0.62) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL31011703 0.70 KDM4E (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4873958 0.69 KDM4E (0.46) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL9977538 0.68 POLB (0.51) LMNAALDH1A1RAB9ATDP1MEN1
SCHEMBL11048969 0.67 KDM4E (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
Methoxymethane SCHEMBL27492761 0.66 ALDH1A1 (0.51) MAPTLMNAALDH1A1HTTRAB9A

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 2 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-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 MAPT 1294/4885LMNA 4092/4885ALDH1A1 2513/4885

“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.