SCHEMBL4923978

SCHEMBL4923978

O=C(NO)c1cccc2cccc(C(=O)Nc3ccccc3S)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.51
MDM4 O15151 4/20 0.51
MMP3 P08254 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MDM2 Q00987 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
GAA P10253 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MPO P05164 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 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
SCHEMBL4915684 0.88 TP53 (0.61) TP53MDM4MMP3HDAC8MDM2
SCHEMBL4924169 0.84 NPC1 (0.63) TP53MMP3HDAC8NPC1RAB9A
SCHEMBL4923542 0.83 TP53 (0.56) TP53MDM4MDM2NPC1CHRNB2
SCHEMBL4926426 0.82 NPC1 (0.58) MMP3HDAC8NPC1RAB9ACHRNB2
SCHEMBL28629544 0.80 HDAC8 (0.64) MMP3HDAC8GAALMNASMN1; SMN2
SCHEMBL4925011 0.79 NPC1 (0.55) TP53MMP3HDAC8NPC1RAB9A
SCHEMBL4915600 0.78 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.48) TP53MMP3HDAC8NPC1RAB9A
SCHEMBL4923911 0.77 KDR (0.54) TP53MMP3HDAC8NPC1RAB9A
SCHEMBL5244121 0.77 NPC1 (0.58) TP53MMP3HDAC8NPC1RAB9A
SCHEMBL7154697 0.74 MDM4 (0.66) TP53MDM4HDAC8MDM2NPC1

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 TP53 4175/4885MDM4 4834/4885MMP3 442/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 TP53 4132/4885MDM4 4828/4885MMP3 543/4885

“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.