SCHEMBL2177726

SCHEMBL2177726

CN(C)CCOc1ccn(Cc2cc3c(cc2Cl)OCO3)c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK14 Q16539 1/20 0.39
SLC22A12 Q96S37 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
SCHEMBL2180062 0.86 KDM4E (0.40) KDM4EALDH1A1NPC1HPGDMAPK14
SCHEMBL2180037 0.85 KDM4E (0.39) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL2174324 0.83 MAPK14 (0.41) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL2176365 0.83 MCHR1 (0.39) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL2174927 0.81 AR (0.40) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL2177976 0.80 MAPK14 (0.38) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL2178922 0.80 MAPK14 (0.66) MCHR1ALDH1A1NPC1HPGDMAPK14
SCHEMBL2177276 0.78 MAPK14 (0.52) MCHR1MAPK14
SCHEMBL2175647 0.78 MAPK14 (0.51) MCHR1KDM4EALDH1A1NPC1HPGD
SCHEMBL2177162 0.77 KDM4E (0.46) KDM4EMAPK14

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-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
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 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 (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 MCHR1 4586/4885KDM4E 3785/4885ALDH1A1 4172/4885

“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.