SCHEMBL874668

SCHEMBL874668

COc1ccc(C(=O)Nc2ccc(SC(CCn3nnc4ccc(C)cc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 7/20 0.49
MAPT P10636 3/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
TP53 P04637 3/20 0.40
STAT3 P40763 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL875589 0.95 GPR139 (0.49) GPR139MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL875423 0.94 GPR139 (0.45) GPR139MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL874661 0.91 CTNNB1 (0.44) GPR139NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL878120 0.90 MAPT (0.46) GPR139MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15732962 0.89 GPR139 (0.49) GPR139MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL878124 0.89 GPR139 (0.44) GPR139MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL874598 0.89 GPR139 (0.53) GPR139MMP2MMP9KMT2A
SCHEMBL874987 0.88 DGAT1 (0.49) GPR139NPC1RAB9ALMNAKDM4E
SCHEMBL874885 0.87 GPR139 (0.48) GPR139NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL878096 0.87 GPR139 (0.45) GPR139MAPTNPC1RAB9ASMN1; SMN2

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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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 (1 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 GPR139 2694/4885MAPT 2663/4885NPC1 1027/4885

“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.