SCHEMBL12547814

SCHEMBL12547814

Cc1cc(I)cc(C(=O)N2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.48
PHGDH O43175 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6465429 0.89 HPGD (0.68) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL12547973 0.85 HPGD (0.69) HPGDALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL12548117 0.85 HPGD (0.74) HPGDALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL23113264 0.81 HPGD (0.58) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL12846471 0.81 HPGD (0.54) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL7903188 0.81 EPHX2 (0.49) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15262556 0.81 HPGD (0.59) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL15108842 0.79 HPGD (0.51) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL12546097 0.79 HSP90AA1 (0.53) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL15219384 0.78 HIF1A (0.52) HPGDALDH1A1KDM4EHTTMAPT

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 6 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
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
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US 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 HPGD 3092/4885ALDH1A1 2444/4885KDM4E 773/4885

“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.