SCHEMBL877526

SCHEMBL877526

COC(=O)C(CCn1nnc2ccccc2c1=O)Sc1ccc(NC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR139 Q6DWJ6 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL878124 0.92 GPR139 (0.44) HTTKMT2AALDH1A1LMNAMEN1
SCHEMBL15732962 0.89 GPR139 (0.49) HTTKMT2AALDH1A1LMNAHSD17B10
SCHEMBL877403 0.83 MMP2 (0.53) HTTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL875423 0.83 GPR139 (0.45) HTTKMT2AALDH1A1LMNAMEN1
SCHEMBL878096 0.83 GPR139 (0.45) HTTKMT2AALDH1A1LMNAMEN1
SCHEMBL875589 0.82 GPR139 (0.49) HTTALDH1A1LMNAHSD17B10GPR139
SCHEMBL874668 0.81 GPR139 (0.49) KMT2ALMNAGPR139MAPTSMN1; SMN2
SCHEMBL874885 0.80 GPR139 (0.48) HTTKMT2AMEN1GPR139SMN1; SMN2
SCHEMBL877231 0.80 GPR139 (0.47) HTTKMT2AALDH1A1LMNAGPR139
SCHEMBL874661 0.79 CTNNB1 (0.44) HTTKMT2AMEN1GPR139SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US 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 HTT 4338/4885KMT2A 3501/4885ALDH1A1 2281/4885

“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.