SCHEMBL723030

SCHEMBL723030

Cc1c(C(O)C2CCCCC2)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.42
CSNK1D P48730 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
IDO1 P14902 5/20 0.35
TDO2 P48775 5/20 0.35
KCNH2 Q12809 1/20 0.34
NLRP3 Q96P20 1/20 0.34
EPHX1 P07099 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRNA7 P36544 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32

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
SCHEMBL719872 0.90 PDE2A (0.42) PDE2ACSNK1DIDO1TDO2KCNH2
SCHEMBL719361 0.85 CSNK1D (0.34) PDE2ACSNK1DHRH4KCNH2NLRP3
SCHEMBL720511 0.78 IDO1 (0.36) IDO1TDO2MEN1KMT2ALMNA
SCHEMBL719528 0.77 RCE1 (0.39) CSNK1DEPHX2
SCHEMBL717697 0.76 KIF11 (0.33) PDE2ACSNK1DKCNH2NLRP3EPHX1
SCHEMBL14905730 0.73 PDE2A (0.48) PDE2ACSNK1DIDO1TDO2EPHX1
SCHEMBL3099329 0.73 PDE2A (0.39) PDE2AIDO1TDO2KCNH2MEN1
SCHEMBL14017110 0.71 CACNA1F (0.36) PDE2AKCNH2NLRP3MEN1KMT2A
SCHEMBL14905698 0.71 PDE2A (0.45) PDE2ACSNK1DIDO1TDO2EPHX1
SCHEMBL17341211 0.69 EPHX2 (0.41) HRH4MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE2A 804/4885CSNK1D 3327/4885HRH4 2307/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE2A 804/4885CSNK1D 3327/4885HRH4 2307/4885

“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.