SCHEMBL1609356

SCHEMBL1609356

COc1cc2sc(C(=O)N3CCOCC3)c(C)c2c(C#N)c1OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
KDM4E B2RXH2 2/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL1609127 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HPGDNPSR1POLBALDH1A1
SCHEMBL1608156 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EHPGDNPSR1POLB
SCHEMBL1608957 0.77 CES2 (0.55) SMN1; SMN2KDM4EHPGDNPSR1POLB
SCHEMBL1608249 0.77 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EHPGDNPSR1POLB
SCHEMBL1608941 0.70 HPGD (0.58) KDM4EHPGDNPSR1POLBALDH1A1
SCHEMBL17194290 0.68 KDM4E (0.53) SMN1; SMN2KDM4EHPGDNPSR1POLB
Trimetozine SCHEMBL114786 0.68 MAPT (0.72) HPGDPOLBALDH1A1MAPTKMT2A
SCHEMBL1608089 0.67 KMT2A (0.46) SMN1; SMN2KDM4EHPGDNPSR1POLB
SCHEMBL1609283 0.66 GPR35 (0.56) SMN1; SMN2KDM4EHPGDPOLBALDH1A1
SCHEMBL1608247 0.65 HPGD (0.55) KDM4EHPGDNPSR1POLBALDH1A1

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 SMN1; SMN2 1281/4885KDM4E 2512/4885HPGD 163/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 SMN1; SMN2 2315/4885KDM4E 594/4885HPGD 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.