SCHEMBL4930583

SCHEMBL4930583

Nc1ccc(C(=O)NCCCc2ccccc2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 3/20 0.64
POLB P06746 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NLRP1 Q9C000 1/20 0.58
MLYCD O95822 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSP90AA1 P07900 1/20 0.56
SYK P43405 1/20 0.55
EPHX2 P34913 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL4930568 0.96 HSP90AA1 (0.61) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL4930780 0.92 HDAC2 (0.60) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL2956025 0.89 NPC1 (0.68) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL10674580 0.87 NPC1 (0.69) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL4928213 0.83 PLAU (0.59) RAB9AALDH1A1HPGDHSD17B10
SCHEMBL15989183 0.79 CNR2 (0.55) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL3225126 0.79 NPC1 (1.00) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL5924535 0.79 POLB (0.52) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL5924248 0.78 HPGD (0.57) POLBKDM4EALDH1A1HPGDMAPT
SCHEMBL5924372 0.78 CA2 (0.60) NPC1RAB9AALDH1A1MAPTMLYCD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US claimed
JP-2008508348-A 2008-03-21 JP claimed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP claimed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO claimed
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 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 (3 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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 NPC1 3552/4885RAB9A 3292/4885POLB 3727/4885
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1166/4885RAB9A 4301/4885POLB 2152/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1034/4885RAB9A 4161/4885POLB 2516/4885

“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.