SCHEMBL6791748

SCHEMBL6791748

COc1ccc(CNC(=O)c2ccc(-c3ccc(C(O)C4(C)NC(=O)NC4=O)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX2 P34913 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 5/20 0.48
KDM1A O60341 3/20 0.48
PPARG P37231 1/20 0.47
ROCK2 O75116 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
GAA P10253 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6944232 0.88 ROCK2 (0.49) NPC1RAB9AEPHX2NR1H4HDAC1
SCHEMBL6839916 0.86 MMP13 (0.53) ALDH1A1SMN1; SMN2ROCK2GAACYP3A4
SCHEMBL6793983 0.84 MMP2 (0.45) ALDH1A1SMN1; SMN2KMT2AHDAC2HDAC8
SCHEMBL6793713 0.75 MMP2 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2HDAC1
SCHEMBL6793526 0.75 CA12 (0.40) MMP2MMP9MMP8
SCHEMBL9416606 0.74 NPC1 (0.82) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL11761142 0.74 NPC1 (0.82) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL6793293 0.74 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6792382 0.73 PGR (0.48) GAAHDAC2HDAC8LMNA
SCHEMBL23903366 0.73 RAB9A (1.00) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2

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-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 NPC1 1342/4885RAB9A 1922/4885ALDH1A1 294/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 NPC1 150/4885RAB9A 2385/4885ALDH1A1 1250/4885

“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.