SCHEMBL1439664

SCHEMBL1439664

O=C(Cc1ccccc1)c1cccc(I)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SRD5A2 P31213 2/20 0.50
RAB9A P51151 2/20 0.50
PLAU P00749 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
GRM1 Q13255 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL2647562 0.85 MTOR (0.48) MAPTGAAALDH1A1
SCHEMBL24800 0.80 MAPT (0.73) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL15881200 0.80 ERCC5 (0.62) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL30396060 0.80 CA12 (0.57) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL1515876 0.80 CA12 (0.57) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL11781277 0.79 MAPT (0.56) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL13178293 0.79 MAPT (0.67) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL11633589 0.79 MAPT (0.60) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL3289372 0.79 L3MBTL1 (0.58) MAPTL3MBTL1SRD5A2RAB9APLAU
SCHEMBL28451876 0.79 GRM1 (0.54) MAPTL3MBTL1SRD5A2RAB9APLAU

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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MAPT 3534/4885L3MBTL1 3657/4885SRD5A2 971/4885

“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.