SCHEMBL1609700

SCHEMBL1609700

COc1cc2c(Cl)csc2cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
GAA P10253 2/20 0.36
RECQL P46063 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
CDK5 Q00535 1/20 0.36
MCL1 Q07820 1/20 0.36
RIN1 Q13671 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
GFER P55789 1/20 0.35
MAOA P21397 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6230094 0.84 ALDH1A1 (0.44) MAOBGAARECQLMAPTKDM4E
SCHEMBL248581 0.71 MAOB (0.48) MAOBGAAMAPTALDH1A1HSD17B10
SCHEMBL8840801 0.70 MAOB (0.52) MAOBGAARECQLMAPTKDM4E
SCHEMBL17133045 0.70 MAOB (0.52) MAOBGAARECQLMAPTKDM4E
SCHEMBL69147 0.69 HSD17B10 (0.52) MAOBRECQLMAPTKDM4EALDH1A1
SCHEMBL25664040 0.69 MAOB (0.46) MAOBGAAHSD17B10KMT2APTGS2
SCHEMBL4398163 0.69 GAA (0.56) MAOBGAARECQLMAPTKDM4E
SCHEMBL17546677 0.68 MAOB (0.50) MAOBGAARECQLMAPTKDM4E
SCHEMBL8840857 0.68 MAOB (0.50) MAOBGAARECQLMAPTKDM4E
SCHEMBL8840816 0.68 MAOB (0.50) MAOBGAARECQLMAPTKDM4E

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 MAOB 10/4885GAA 42/4885RECQL 1682/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 MAOB 9/4885GAA 70/4885RECQL 285/4885

“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.