SCHEMBL10031343

SCHEMBL10031343

Cc1ccc2c(c1)C(=O)/C(=C\O)CS2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
MIF P14174 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
ELANE P08246 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL10369692 1.00 EPHX2 (0.45) EPHX2MIFMAPTKDM4ESMN1; SMN2
SCHEMBL16138612 0.87 EPHX2 (0.45) EPHX2MIFMAPTKDM4ESMN1; SMN2
SCHEMBL567073 0.86 EPHX2 (0.44) EPHX2MIFMAPTKDM4ESMN1; SMN2
SCHEMBL567075 0.86 EPHX2 (0.44) EPHX2MIFMAPTKDM4ESMN1; SMN2
SCHEMBL567831 0.86 EPHX2 (0.44) EPHX2MIFMAPTKDM4ESMN1; SMN2
SCHEMBL567370 0.86 EPHX2 (0.44) EPHX2MIFMAPTKDM4ESMN1; SMN2
SCHEMBL567833 0.86 EPHX2 (0.44) EPHX2MIFMAPTKDM4ESMN1; SMN2
SCHEMBL10031344 0.81 NOTUM (0.46) MIFKDM4EMEN1KMT2AMAOB
SCHEMBL567134 0.81 NOTUM (0.46) MIFKDM4EMEN1KMT2AMAOB
SCHEMBL567133 0.81 NOTUM (0.46) MIFKDM4EMEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 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
EP-0196803-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4692444-A DIURETICS, VASODILATORS, HYPOTENSIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-09-08 US disclosed
EP-0196803-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP 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 3435/4885MIF 803/4885MAPT 4037/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC EPHX2 4756/4885MIF 300/4885MAPT 3851/4885

“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.