SCHEMBL4915077

SCHEMBL4915077

CC(C)(C)c1ccc(C(=O)Nc2cc(C(N)=O)ccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
DEGS1 O15121 1/20 0.53
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
ALPL P05186 1/20 0.47
GRIN2C Q14957 1/20 0.46
PKM P14618 1/20 0.46
ESRRG P62508 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL7900640 0.83 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4293603 0.81 HIF1A (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL26075655 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4920277 0.81 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTDEGS1
SCHEMBL12203153 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL18421180 0.80 LMNA (0.47) MAPTGSK3BLMNA
SCHEMBL20016216 0.79 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL28994215 0.78 BTK (0.53) DEGS1
SCHEMBL8092962 0.77 L3MBTL1 (0.52) GSK3B
SCHEMBL26719737 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTTP53

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 4 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
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
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 (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 4301/4885SMN1; SMN2 1214/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 NPC1 1034/4885RAB9A 4161/4885SMN1; SMN2 1095/4885

“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.