SCHEMBL567833

SCHEMBL567833

Cc1ccc2c(c1)C(=O)C(=CBr)CS2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MIF P14174 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ELANE P08246 1/20 0.36
METAP1 P53582 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL567831 1.00 EPHX2 (0.44) EPHX2MAOBMAOAMAPTHTT
SCHEMBL16138612 0.86 EPHX2 (0.45) EPHX2MAOBMAOAMAPTHTT
SCHEMBL10031343 0.86 EPHX2 (0.45) EPHX2MAOBMAOAMAPTHTT
SCHEMBL10369692 0.86 EPHX2 (0.45) EPHX2MAOBMAOAMAPTHTT
SCHEMBL567073 0.84 EPHX2 (0.44) EPHX2MAOBMAOAMAPTHTT
SCHEMBL567075 0.84 EPHX2 (0.44) EPHX2MAOBMAOAMAPTHTT
SCHEMBL567370 0.84 EPHX2 (0.44) EPHX2MAOBMAOAMAPTHTT
SCHEMBL566863 0.81 KDM4E (0.54) MAOBMAPTHTTMEN1KMT2A
SCHEMBL566861 0.81 KDM4E (0.54) MAOBMAPTHTTMEN1KMT2A
SCHEMBL567350 0.81 NOTUM (0.42) MAOBMAOAMAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP claimed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP claimed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US claimed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 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 (2 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-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, NRDC, SOST EPHX2 3435/4885MAOB 3447/4885MAOA 4297/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC EPHX2 4756/4885MAOB 1058/4885MAOA 798/4885

“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.