SCHEMBL4873958

SCHEMBL4873958

O=C1NCC=CN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
KCNJ1 P48048 3/20 0.44
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 2/20 0.43
P2RX4 Q99571 1/20 0.43
DBH P09172 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
DPP4 P27487 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL4619566 0.78 GSK3A (0.46) KDM4EALDH1A1LMNAMAPTPOLB
SCHEMBL29283174 0.77 ALDH1A1 (0.61) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL5311792 0.74 SIRT6 (0.49) ALDH1A1LMNAMAPTPOLBMEN1
SCHEMBL4595458 0.73 SMN1; SMN2 (0.64) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL11048969 0.71 KDM4E (0.57) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL31011703 0.71 KDM4E (0.57) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL23747607 0.71 KCNJ1 (0.54) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL7261363 0.70 GSK3A (0.61) KDM4EALDH1A1LMNAMAPTKCNJ1
Hydrochloric Acid SCHEMBL23728167 0.70 KCNJ1 (0.52) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL3144017 0.70 KCNJ1 (0.56) KDM4EALDH1A1LMNAMAPTKCNJ1

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 KDM4E 2007/4885ALDH1A1 2513/4885LMNA 4092/4885

“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.