SCHEMBL1608941

SCHEMBL1608941

COc1cc2sc(C(=O)N3CCOCC3)c(Cl)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
STING1 Q86WV6 1/20 0.52
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 4/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 1/20 0.44
PRKCZ Q05513 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1608247 0.92 HPGD (0.55) HPGDSTING1NPSR1NPC1MAPT
SCHEMBL1608957 0.88 CES2 (0.55) HPGDNPSR1NPC1MAPTALDH1A1
SCHEMBL1609311 0.84 STING1 (0.51) HPGDSTING1NPSR1MAPTALDH1A1
SCHEMBL1608089 0.83 KMT2A (0.46) HPGDNPSR1NPC1MAPTALDH1A1
SCHEMBL1608165 0.83 HPGD (0.62) HPGDMAPTALDH1A1KMT2AMEN1
SCHEMBL1609034 0.82 KMT2A (0.46) HPGDNPSR1NPC1MAPTALDH1A1
SCHEMBL1609535 0.82 KMT2A (0.46) HPGDNPSR1MAPTALDH1A1KDM4E
SCHEMBL1608336 0.81 SMN1; SMN2 (0.50) HPGDSTING1NPSR1NPC1MAPT
SCHEMBL1608249 0.78 SMN1; SMN2 (0.55) HPGDNPSR1MAPTALDH1A1KDM4E
SCHEMBL14246728 0.76 ALDH1A1 (0.71) HPGDNPC1MAPTALDH1A1KMT2A

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 163/4885STING1 4828/4885NPSR1 721/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 HPGD 611/4885STING1 4840/4885NPSR1 219/4885

“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.