SCHEMBL12876163

SCHEMBL12876163

Cc1cccc(-c2nc(COC3CCCCO3)c(C(F)F)s2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1199130 0.88 MAPT (0.39) KDM4CRAB9APPARGPPARAMEN1
SCHEMBL12876150 0.85 FFAR1 (0.36) KDM4CRAB9ANPC1KDM4EGAA
SCHEMBL12876153 0.85 FFAR1 (0.38) KDM4CRAB9ANPC1KDM4EGAA
SCHEMBL12876144 0.83 RAB9A (0.38) KDM4CRAB9ANPC1KDM4EGAA
SCHEMBL1199248 0.74 GRIN1 (0.38) KDM4CRAB9APPARGPPARAMEN1
SCHEMBL1197624 0.74 MEN1 (0.41) KDM4CRAB9APPARGPPARAMEN1
SCHEMBL1198600 0.74 GRIN1 (0.38) KDM4CRAB9APPARGPPARAMEN1
SCHEMBL1198888 0.73 GRIN1 (0.37) KDM4CRAB9APPARGPPARAMEN1
SCHEMBL12876137 0.73 ATP4A (0.39) KDM4CRAB9ANPC1KDM4EGAA
SCHEMBL1199541 0.72 PPARG (0.40) KDM4CPPARGPPARAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4C 2736/4885RAB9A 2507/4885NPC1 3877/4885

“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.