SCHEMBL2177973

SCHEMBL2177973

O=c1cc(OCc2ccccn2)ccn1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
SNRNP200 O75643 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MCHR1 Q99705 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
AR P10275 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 0.85 MAPK14 (0.66) MAPK14NPC1ALDH1A1HPGDMCHR1
SCHEMBL2176386 0.84 KDM4E (0.45) MAPK14KDM4ENPC1ALDH1A1HPGD
SCHEMBL2175647 0.84 MAPK14 (0.51) MAPK14KDM4ENPC1ALDH1A1HPGD
SCHEMBL2175574 0.83 MAPK14 (0.41) MAPK14KDM4ENPC1ALDH1A1HPGD
SCHEMBL2175391 0.80 MAPK14 (0.46) MAPK14KDM4ENPC1ALDH1A1HPGD
SCHEMBL2177276 0.80 MAPK14 (0.52) MAPK14MCHR1
SCHEMBL2180062 0.79 KDM4E (0.40) MAPK14KDM4ENPC1ALDH1A1HPGD
SCHEMBL2176365 0.78 MCHR1 (0.39) MAPK14KDM4ENPC1ALDH1A1HPGD
SCHEMBL2174324 0.78 MAPK14 (0.41) MAPK14KDM4ENPC1ALDH1A1HPGD
SCHEMBL2177726 0.76 MCHR1 (0.41) MAPK14KDM4ENPC1ALDH1A1HPGD

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 1791/4885SNRNP200 1541/4885KDM4E 3785/4885

“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.