SCHEMBL3712644

SCHEMBL3712644

CCOC(=O)c1cc(Sc2ccc(Cl)nc2)n(-c2cc(F)ccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
CHRNA7 P36544 2/20 0.38
SLC34A1 Q06495 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
NOTUM Q6P988 1/20 0.37
TP53 P04637 2/20 0.36
PDE4B Q07343 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
RAB9A P51151 2/20 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
SCHEMBL3702451 0.93 THRB (0.38) THRBCHRNA7SLC34A1NPSR1L3MBTL1
SCHEMBL3692782 0.93 THRB (0.38) THRBCHRNA7SLC34A1NPSR1L3MBTL1
SCHEMBL3704506 0.91 KDM4E (0.40) THRBCHRNA7SLC34A1NPSR1L3MBTL1
SCHEMBL2838638 0.88 PDE4B (0.48) NPSR1GAAMAPTTP53PDE4B
SCHEMBL3699131 0.86 PDE4B (0.39) THRBGAAMAPTNOTUMTP53
SCHEMBL3692657 0.86 ALDH1A1 (0.44) THRBCHRNA7NPSR1L3MBTL1GAA
SCHEMBL3694787 0.86 NPSR1 (0.45) THRBNPSR1GAAMAPTTP53
SCHEMBL3700293 0.85 MAPT (0.39) THRBCHRNA7SLC34A1NPSR1L3MBTL1
SCHEMBL3697504 0.85 MAPT (0.39) THRBCHRNA7SLC34A1NPSR1L3MBTL1
SCHEMBL3700531 0.84 MAPT (0.38) THRBCHRNA7SLC34A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 THRB 3537/4885CHRNA7 3364/4885SLC34A1 1994/4885

“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.