SCHEMBL6302829

SCHEMBL6302829

COc1ccc(CNC(=O)c2ccc(N)c(C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
NR1H4 Q96RI1 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
EPHX2 P34913 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MMP13 P45452 1/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC1 Q13547 2/20 0.56
PPARG P37231 1/20 0.54
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6296069 0.92 NPC1 (0.60) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL6302831 0.90 NPC1 (0.56) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL7620985 0.90 NPC1 (0.57) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL6302398 0.88 NPC1 (0.55) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL13175754 0.85 PDE4A (0.63) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL30829109 0.83 NPC1 (0.62) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL9416606 0.81 NPC1 (0.82) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL11761142 0.81 NPC1 (0.82) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL5334043 0.81 CYP1A2 (0.65) NPC1RAB9ANR1H4KMT2AMEN1
SCHEMBL6239186 0.81 NPC1 (0.61) NPC1RAB9ANR1H4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US disclosed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO disclosed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH NPC1 760/4885RAB9A 3590/4885NR1H4 640/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 NPC1 990/4885RAB9A 3650/4885NR1H4 727/4885

“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.