SCHEMBL1609428

SCHEMBL1609428

O=C(c1sc2cc(O)c(O)cc2c1CBr)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 4/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37
HSP90AB1 P08238 3/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL1608089 0.83 KMT2A (0.46) HPGDL3MBTL1MAPTRAB9ANPC1
SCHEMBL1608165 0.81 HPGD (0.62) HPGDL3MBTL1HSP90AA1LMNAMAPT
SCHEMBL1609283 0.81 GPR35 (0.56) HPGDL3MBTL1LMNAMAPTALOX15
SCHEMBL1608790 0.77 COMT (0.43) HPGDSMN1; SMN2
SCHEMBL1608247 0.70 HPGD (0.55) HPGDL3MBTL1HSP90AA1LMNAMAPT
SCHEMBL31538627 0.67 L3MBTL1 (0.47) HPGDL3MBTL1LMNAMAPTALOX15
SCHEMBL32686061 0.65 HPGD (0.56) HPGDLMNARAB9ANPC1SMN1; SMN2
SCHEMBL1608957 0.65 CES2 (0.55) HPGDL3MBTL1MAPTNPC1SMN1; SMN2
SCHEMBL1608941 0.65 HPGD (0.58) HPGDL3MBTL1LMNAMAPTRAB9A
SCHEMBL1609326 0.64 ALDH1A1 (0.46) HPGDHSP90AA1LMNAMAPTRAB9A

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-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
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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 (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 163/4885L3MBTL1 4311/4885HSP90AA1 2735/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 HPGD 611/4885L3MBTL1 3244/4885HSP90AA1 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.