SCHEMBL3700485

SCHEMBL3700485

CCOC(=O)c1cc(O)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.47
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
RIPK1 Q13546 1/20 0.43
CYP1A2 P05177 1/20 0.43
NOTUM Q6P988 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
CHRNA7 P36544 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40

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
SCHEMBL3708992 0.88 TP53 (0.51) TP53THRBLMNAGAAKMT2A
SCHEMBL3703311 0.88 MAPT (0.47) TP53THRBLMNAGAAKMT2A
SCHEMBL2843332 0.88 PDE4B (0.60) PDE4BTP53LMNAGAAKMT2A
SCHEMBL3706524 0.86 TP53 (0.49) PDE4BTP53THRBLMNAGAA
SCHEMBL3695919 0.83 TP53 (0.51) TP53THRBLMNAGAAKMT2A
SCHEMBL3698071 0.83 NPSR1 (0.57) TP53THRBGAAKMT2APOLB
SCHEMBL3713741 0.82 THRB (0.46) PDE4BTP53THRBLMNAGAA
SCHEMBL2320889 0.81 KMT2A (0.50) KMT2ARIPK1NOTUMMAPT
SCHEMBL3701832 0.80 TP53 (0.46) PDE4BTP53THRBLMNAGAA
SCHEMBL538328 0.80 MAPT (0.54) PDE4BTP53THRBGAAKMT2A

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 PDE4B 399/4885TP53 4668/4885THRB 3537/4885

“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.