SCHEMBL6289016

SCHEMBL6289016

CN1C(=O)N(Cc2ccc(C(=O)O)cc2)Cc2oc(C(=O)NCc3ccncc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.43
MMP13 P45452 2/20 0.42
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CA P42336 1/20 0.39
HDAC1 Q13547 1/20 0.39
PTGER4 P35408 5/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6288787 0.93 PTGER4 (0.46) SCDMMP13ALDH1A1PTGER4
SCHEMBL6701897 0.84 SCD (0.52) SCDALDH1A1PTGER4LMNAMEN1
SCHEMBL6696978 0.78 PTGER4 (0.46) SCDMMP13ALDH1A1PTGER4LMNA
SCHEMBL6288965 0.76 SCD (0.40) SCDALDH1A1RAB9AHDAC1LMNA
SCHEMBL6288901 0.75 MMP13 (0.43) SCDMMP13NAMPTALDH1A1PIK3CA
SCHEMBL6288755 0.74 TP53 (0.45) MMP13ALDH1A1PTGER4LMNAPOLB
SCHEMBL6696733 0.73 MMP13 (0.49) MMP13ALDH1A1PTGER4MEN1KMT2A
SCHEMBL6289326 0.72 MMP13 (0.43) SCDMMP13HDAC1PTGER4
SCHEMBL6702617 0.72 MMP13 (0.41) MMP13NAMPTALDH1A1NPC1RAB9A
SCHEMBL6813882 0.71 MMP13 (0.44) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 SCD 1414/4885MMP13 9/4885NAMPT 2648/4885
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 SCD 2142/4885MMP13 13/4885NAMPT 1148/4885

“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.