SCHEMBL1608089

SCHEMBL1608089

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
PRKCZ Q05513 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL1608957 0.83 CES2 (0.55) KMT2AGLAHPGDNPSR1NPC1
SCHEMBL1608941 0.83 HPGD (0.58) KMT2AGLAHPGDNPSR1NPC1
SCHEMBL1609428 0.83 HPGD (0.45) HPGDNPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL31564753 0.76 L3MBTL1 (0.49) KMT2AGLAHPGDNPSR1MAPT
SCHEMBL1608247 0.76 HPGD (0.55) KMT2AGLAHPGDNPSR1NPC1
SCHEMBL1609127 0.71 SMN1; SMN2 (0.52) KMT2AGLAHPGDNPSR1MAPT
SCHEMBL9188508 0.70 MAPT (0.53) KMT2AGLAHPGDNPSR1NPC1
SCHEMBL31564770 0.69 STING1 (0.44) KMT2ANPC1MAPTALDH1A1KDM4E
SCHEMBL1609535 0.69 KMT2A (0.46) KMT2AGLAHPGDNPSR1MAPT
SCHEMBL1609034 0.69 KMT2A (0.46) KMT2AGLAHPGDNPSR1NPC1

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 4 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

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 KMT2A 2938/4885GLA 509/4885HPGD 163/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 KMT2A 1989/4885GLA 420/4885HPGD 611/4885

“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.