SCHEMBL15216682

SCHEMBL15216682

COC(=O)c1cc(C)cc(-c2cc3nccc(Cl)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SYK P43405 1/20 0.36
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35

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
SCHEMBL15209535 0.87 RARA (0.39) NPC1RAB9ASYKKDM4CCSNK2A2
SCHEMBL30765301 0.86 TNKS (0.45) KDM4EMAPTATMALDH1A1NPC1
SCHEMBL18339400 0.86 TNKS (0.45) KDM4EMAPTATMALDH1A1NPC1
SCHEMBL723577 0.84 NEK1 (0.39) CNR2KDM4EALOX15HTTSYK
SCHEMBL723046 0.83 CSNK2A2 (0.36) TDO2CSNK2A2CSNK2BCSNK2A1
SCHEMBL18340187 0.81 TDO2 (0.39) KDM4EMAPTALDH1A1NFKB1NFKB2
SCHEMBL18361893 0.78 XDH (0.43) KDM4EMAPTATMALDH1A1SMN1; SMN2
SCHEMBL723959 0.77 HPGD (0.39) KDM4EMAPTALDH1A1HPGDCSNK2A2
SCHEMBL18339602 0.76 KMT2A (0.41) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL15210444 0.76 KMT2A (0.41) KDM4EMAPTALDH1A1NPC1RAB9A

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
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 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 (1 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB CNR2 2678/4885KDM4E 1009/4885MAPT 4861/4885

“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.