SCHEMBL875423

SCHEMBL875423

Cc1ccc(C(=O)Nc2ccc(SC(CCn3nnc4ccc(C)cc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.45
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.43
DGAT1 O75907 1/20 0.42
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL874661 0.95 CTNNB1 (0.44) GPR139HTTRAB9ADGAT1NPC1
SCHEMBL878120 0.94 MAPT (0.46) GPR139HTTRAB9ADGAT1NPC1
SCHEMBL874668 0.94 GPR139 (0.49) GPR139RAB9ANPC1SMN1; SMN2MMP2
SCHEMBL874885 0.93 GPR139 (0.48) GPR139HTTRAB9ADGAT1NPC1
SCHEMBL878096 0.93 GPR139 (0.45) GPR139HTTRAB9ADGAT1NPC1
SCHEMBL875589 0.92 GPR139 (0.49) GPR139HTTRAB9ADGAT1NPC1
SCHEMBL874987 0.92 DGAT1 (0.49) GPR139HTTRAB9ADGAT1NPC1
SCHEMBL878124 0.92 GPR139 (0.44) GPR139HTTRAB9ADGAT1NPC1
SCHEMBL15732962 0.85 GPR139 (0.49) GPR139HTTRAB9ANPC1SMN1; SMN2
SCHEMBL877231 0.85 GPR139 (0.47) GPR139HTTRAB9ADGAT1NPC1

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 2694/4885HTT 4338/4885RAB9A 1310/4885

“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.