SCHEMBL4925923

SCHEMBL4925923

Nc1ccc(O)c(C(=O)NCCCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
HPGD P15428 3/20 0.70
ALDH1A1 P00352 1/20 0.70
MAPT P10636 1/20 0.70
TSHR P16473 1/20 0.70
HTT P42858 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
HSD17B10 Q99714 1/20 0.70
NLRP1 Q9C000 1/20 0.70
SYK P43405 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 4/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 1/20 0.56
THRA P10827 2/20 0.55
THRB P10828 2/20 0.55
BCL2 P10415 1/20 0.55
MCL1 Q07820 1/20 0.55
SLC6A5 Q9Y345 1/20 0.54
NLRP3 Q96P20 1/20 0.52

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
SCHEMBL4929054 0.96 HPGD (0.64) NPC1HPGDALDH1A1MAPTTSHR
SCHEMBL4928709 0.92 SYK (0.58) NPC1HPGDALDH1A1MAPTTSHR
SCHEMBL15926284 0.86 NPC1 (0.74) NPC1HPGDALDH1A1MAPTTSHR
SCHEMBL4925203 0.83 HSP90AA1 (0.61) HPGDALDH1A1HSD17B10SYKKDM4E
SCHEMBL15926355 0.82 HPGD (0.68) NPC1HPGDALDH1A1MAPTTSHR
SCHEMBL17774871 0.81 SYK (0.60) NPC1MAPTSYKSMN1; SMN2RAB9A
SCHEMBL9364284 0.80 NAAA (0.65) HPGDALDH1A1TSHRHTTSYK
SCHEMBL8636926 0.79 NPC1 (0.70) NPC1HPGDALDH1A1MAPTTSHR
SCHEMBL17774854 0.78 MAPK1 (0.50) NPC1HTTNPSR1SYKSMN1; SMN2
SCHEMBL17774862 0.78 ALOX5 (0.55) HPGDALDH1A1MAPTTSHRHSD17B10

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 11 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
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP 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
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1166/4885HPGD 3242/4885ALDH1A1 28/4885
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR NPC1 4673/4885HPGD 588/4885ALDH1A1 440/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1034/4885HPGD 3545/4885ALDH1A1 27/4885

“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.