SCHEMBL1844388

SCHEMBL1844388

Cc1ccc(-c2ccc(CCC=O)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2A6 P11509 1/20 0.45
AURKA O14965 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
CDK8 P49336 1/20 0.42
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL3516698 0.81 BRS3 (0.46) CYP3A4AURKAABL1NTRK1LCK
SCHEMBL9805471 0.81 RAB9A (0.65) CYP3A4RAB9ASMN1; SMN2NPC1TP53
SCHEMBL9805639 0.81 RAB9A (0.65) CYP3A4RAB9ASMN1; SMN2NPC1TP53
SCHEMBL27433068 0.80 SMN1; SMN2 (0.56) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL12203641 0.80 CCR1 (0.52) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL9805398 0.79 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL9805528 0.79 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL18127432 0.79 SMN1; SMN2 (0.55) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL9357539 0.79 RAB9A (0.67) RAB9ASMN1; SMN2NPC1TP53KDM4E
SCHEMBL9357611 0.79 RAB9A (0.67) RAB9ASMN1; SMN2NPC1TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528691-B Matrix metalloproteinase inhibitors RANBAXY LAB LTD 2014-11-26 CN disclosed
US-8846910-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2014-09-30 US disclosed
US-8816073-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2014-08-26 US disclosed
US-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2013-11-14 US disclosed
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2013-11-07 US disclosed
US-8507670-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-08-13 US disclosed
EP-2074093-B1 PROCESS FOR PREPARING MATRIX METALLOPROTEINASE INHIBITORS AND CHIRAL AUXILIARY THEREFOR RANBAXY LAB LTD (IN) 2012-10-10 EP disclosed
EP-2474531-A2 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2012-07-11 EP disclosed
EP-2322507-A1 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2011-05-18 EP disclosed
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2010-04-01 US disclosed
CN-101528691-A Matrix metalloproteinase inhibitors RANBAXY LAB LTD (IN) 2009-09-09 CN disclosed
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 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 (3 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-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 CCR1 278/4885CCR5 142/4885CCR8 528/4885
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 CCR1 278/4885CCR5 142/4885CCR8 528/4885
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP12 CCR1 295/4885CCR5 170/4885CCR8 481/4885

“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.