SCHEMBL4926426

SCHEMBL4926426

Nc1ccccc1NC(=O)c1cccc2cccc(C(=O)NO)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
HDAC1 Q13547 10/20 0.51
HDAC2 Q92769 9/20 0.51
HDAC3 O15379 7/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HDAC8 Q9BY41 4/20 0.49
MMP3 P08254 1/20 0.49
HDAC6 Q9UBN7 4/20 0.47
HDAC10 Q969S8 3/20 0.47
NCOR2 Q9Y618 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC11 Q96DB2 2/20 0.47

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
SCHEMBL4925011 0.91 NPC1 (0.55) NPC1RAB9AHDAC1HDAC2HDAC3
SCHEMBL5244121 0.88 NPC1 (0.58) NPC1RAB9AHDAC1HDAC2HDAC3
SCHEMBL5245919 0.88 HDAC1 (0.61) NPC1RAB9AHDAC1HDAC2HDAC3
SCHEMBL4921335 0.85 NPC1 (0.55) NPC1RAB9AHDAC1HDAC2HDAC3
SCHEMBL4924169 0.84 NPC1 (0.63) NPC1RAB9AMAPK1KDM4EHSD17B10
SCHEMBL4925144 0.83 HDAC1 (0.56) NPC1RAB9AHDAC1HDAC2HDAC3
SCHEMBL4923978 0.82 TP53 (0.51) NPC1RAB9AKDM4EHDAC8MMP3
SCHEMBL8399721 0.81 HDAC1 (0.69) NPC1RAB9AHDAC1HDAC2HDAC3
SCHEMBL28629544 0.80 HDAC8 (0.64) HDAC1HDAC2HDAC3KDM4EHSD17B10
SCHEMBL392793 0.79 NPC1 (0.70) NPC1RAB9AHDAC1HDAC2HDAC3

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1166/4885RAB9A 4301/4885HDAC1 563/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1034/4885RAB9A 4161/4885HDAC1 622/4885

“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.