SCHEMBL1608153

SCHEMBL1608153

N#Cc1c(O)c(O)cc2c(Cl)c(C(=O)N3CCOCC3)sc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
COMT P21964 1/20 0.38
PIK3CA P42336 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
PHGDH O43175 1/20 0.36

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
SCHEMBL1608249 0.81 SMN1; SMN2 (0.55) HPGDKDM4ESMN1; SMN2MAPTNPSR1
SCHEMBL1608348 0.80 COMT (0.59) HPGDKDM4EHSP90AA1SMN1; SMN2MAPT
SCHEMBL1608165 0.77 HPGD (0.62) HPGDHSP90AA1SMN1; SMN2MAPTTSHR
SCHEMBL1608156 0.74 SMN1; SMN2 (0.48) HPGDKDM4ESMN1; SMN2NPSR1TDP1
SCHEMBL1609034 0.73 KMT2A (0.46) HPGDKDM4ESMN1; SMN2MAPTTSHR
SCHEMBL1608247 0.69 HPGD (0.55) HPGDKDM4EHSP90AA1MAPTNPSR1
SCHEMBL1609535 0.69 KMT2A (0.46) HPGDKDM4ESMN1; SMN2MAPTTSHR
SCHEMBL1608786 0.68 COMT (0.61) HPGDHSP90AA1SMN1; SMN2MAPTMEN1
SCHEMBL14246728 0.68 ALDH1A1 (0.71) HPGDSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL1608941 0.67 HPGD (0.58) HPGDKDM4EMAPTNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US claimed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US claimed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 HPGD 163/4885KDM4E 2512/4885HSP90AA1 2735/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 HPGD 611/4885KDM4E 594/4885HSP90AA1 4079/4885

“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.