SCHEMBL874644

SCHEMBL874644

O=C(Nc1ccc(CCS(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR139 Q6DWJ6 4/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL874844 0.94 KMT2A (0.46) KMT2AKDM4EHDAC1ALDH1A1MEN1
SCHEMBL874359 0.93 GPR139 (0.46) KMT2AKDM4EHDAC1ALDH1A1MEN1
SCHEMBL874743 0.92 SMN1; SMN2 (0.42) KMT2AKDM4EHDAC1ALDH1A1MEN1
SCHEMBL876900 0.92 GPR139 (0.44) KMT2AKDM4EHDAC1ALDH1A1MEN1
SCHEMBL877387 0.90 TSHR (0.49) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL874657 0.90 GPR139 (0.48) KMT2AKDM4EHDAC1ALDH1A1MEN1
SCHEMBL874191 0.89 ALOX15 (0.45) KMT2AKDM4EALDH1A1MEN1L3MBTL1
SCHEMBL877111 0.87 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1MEN1L3MBTL1
SCHEMBL875281 0.86 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1MEN1L3MBTL1
SCHEMBL874492 0.86 KMT2A (0.49) KMT2AKDM4EHDAC1ALDH1A1MEN1

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 KMT2A 3501/4885KDM4E 4398/4885HDAC1 332/4885

“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.