SCHEMBL2178922

SCHEMBL2178922

O=c1cc(OCc2ccccc2)ccn1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.66
MAOB P27338 5/20 0.52
MCHR1 Q99705 2/20 0.46
S1PR1 P21453 1/20 0.46
PRKX P51817 1/20 0.46
ACVR1 Q04771 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MAOA P21397 3/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
GRM5 P41594 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL2175647 0.89 MAPK14 (0.51) MAPK14MAOBMCHR1MAOANPC1
SCHEMBL2177276 0.89 MAPK14 (0.52) MAPK14MAOBMCHR1MAOA
SCHEMBL2175391 0.85 MAPK14 (0.46) MAPK14MCHR1NPC1ALDH1A1HPGD
SCHEMBL2177973 0.85 MAPK14 (0.46) MAPK14MCHR1NPC1ALDH1A1HPGD
SCHEMBL2176064 0.83 MAPK14 (0.78) MAPK14MCHR1S1PR1PRKXACVR1
SCHEMBL2177300 0.82 MAPK14 (0.72) MAPK14MCHR1
SCHEMBL2175674 0.82 MAPK14 (0.72) MAPK14MCHR1S1PR1PRKXACVR1
SCHEMBL2176386 0.82 KDM4E (0.45) MAPK14NPC1ALDH1A1HPGD
SCHEMBL2174324 0.82 MAPK14 (0.41) MAPK14MAOBMCHR1NPC1ALDH1A1
SCHEMBL27736829 0.81 MAOB (0.52) MAPK14MAOBS1PR1PRKXACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN claimed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN claimed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO 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 1015/4885MCHR1 4586/4885

“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.