SCHEMBL2176386

SCHEMBL2176386

Cc1ncccc1COc1ccn(Cc2cc3c(cc2Cl)OCO3)c(=O)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK14 Q16539 1/20 0.42
AR P10275 1/20 0.41
NMT1 P30419 2/20 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
SCHEMBL2177973 0.84 MAPK14 (0.46) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2175647 0.82 MAPK14 (0.51) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2178922 0.82 MAPK14 (0.66) NPC1ALDH1A1HPGDMAPK14
SCHEMBL2175391 0.78 MAPK14 (0.46) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2180062 0.78 KDM4E (0.40) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2175574 0.78 MAPK14 (0.41) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2178029 0.77 HSP90AA1 (0.43) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2180037 0.77 KDM4E (0.39) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2177726 0.77 MCHR1 (0.41) KDM4ENPC1ALDH1A1HPGDMAPK14
SCHEMBL2174324 0.77 MAPK14 (0.41) KDM4ENPC1ALDH1A1HPGDMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US 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 KDM4E 3785/4885NPC1 402/4885ALDH1A1 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.