SCHEMBL2177276

SCHEMBL2177276

O=c1cc(OCCCCCOCc2ccccc2)ccn1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MCHR1 Q99705 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 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
SCHEMBL2178922 0.89 MAPK14 (0.66) MAPK14MAOBMAOAMCHR1
SCHEMBL2174901 0.84 MAPK14 (0.56) MAPK14MCHR1
SCHEMBL2176365 0.84 MCHR1 (0.39) MAPK14MAOBMCHR1
SCHEMBL2178417 0.83 MAPK14 (0.57) MAPK14MCHR1
SCHEMBL2180062 0.83 KDM4E (0.40) MAPK14MAOB
SCHEMBL12408506 0.80 MAPK14 (0.75) MAPK14MCHR1
SCHEMBL2174324 0.80 MAPK14 (0.41) MAPK14MAOBMCHR1
SCHEMBL2177973 0.80 MAPK14 (0.46) MAPK14MCHR1
SCHEMBL2175647 0.79 MAPK14 (0.51) MAPK14MAOBMAOAMCHR1
SCHEMBL2180037 0.78 KDM4E (0.39) MAPK14MAOBMCHR1

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
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT MAPK14 1791/4885MAOB 1015/4885MAOA 1100/4885

“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.