SCHEMBL2174955

SCHEMBL2174955

CCCCCOc1ccn(Cc2cc(NC(C)=O)ccc2Cl)c(=O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
RORC P51449 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2175502 0.83 L3MBTL1 (0.47) ALDH1A1L3MBTL1
SCHEMBL2177962 0.83 GAA (0.41) LMNAALDH1A1L3MBTL1
SCHEMBL2176700 0.82 L3MBTL1 (0.44) ALDH1A1L3MBTL1
SCHEMBL2176101 0.82 L3MBTL1 (0.46) L3MBTL1
SCHEMBL2177091 0.81 MTNR1A (0.41) SMN1; SMN2DRD2
SCHEMBL2175649 0.81 L3MBTL1 (0.45) SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL2177999 0.81 TSHR (0.44) L3MBTL1
SCHEMBL2175352 0.81 MTNR1A (0.41)
SCHEMBL2179134 0.80 L3MBTL1 (0.44) L3MBTL1
SCHEMBL2179154 0.80 MAPK14 (0.49)

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 SMN1; SMN2 4359/4885LMNA 1691/4885RORC 4469/4885

“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.