SCHEMBL878096

SCHEMBL878096

Cc1ccc(C(=O)Nc2ccc(SC(CCn3nnc4cc(C)ccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.45
HTT P42858 1/20 0.43
RAB9A P51151 4/20 0.43
DGAT1 O75907 2/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
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
SCHEMBL875423 0.93 GPR139 (0.45) GPR139HTTRAB9ADGAT1KMT2A
SCHEMBL874661 0.88 CTNNB1 (0.44) GPR139HTTRAB9ADGAT1KMT2A
SCHEMBL874885 0.88 GPR139 (0.48) GPR139HTTRAB9ADGAT1KMT2A
SCHEMBL878120 0.88 MAPT (0.46) GPR139HTTRAB9ADGAT1MAPT
SCHEMBL874668 0.87 GPR139 (0.49) GPR139RAB9AKMT2AMAPTLMNA
SCHEMBL875589 0.87 GPR139 (0.49) GPR139HTTRAB9ADGAT1ALDH1A1
SCHEMBL874987 0.85 DGAT1 (0.49) GPR139HTTRAB9ADGAT1KMT2A
SCHEMBL877231 0.85 GPR139 (0.47) GPR139HTTRAB9ADGAT1KMT2A
SCHEMBL878124 0.85 GPR139 (0.44) GPR139HTTRAB9ADGAT1KMT2A
SCHEMBL877526 0.83 HTT (0.53) GPR139HTTKMT2AALDH1A1MAPT

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.