SCHEMBL719872

SCHEMBL719872

Cc1c(C(O)C2CCCCC2)sc2ccc(C(F)(F)F)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
KIF11 P52732 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IDO1 P14902 5/20 0.35
TDO2 P48775 5/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK1D P48730 1/20 0.34
KCNH2 Q12809 1/20 0.34
NLRP3 Q96P20 1/20 0.34
EPHX1 P07099 2/20 0.33
PIM1 P11309 2/20 0.33
DHODH Q02127 1/20 0.33
PIM2 Q9P1W9 1/20 0.32
EPHX2 P34913 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
SCHEMBL723030 0.90 PDE2A (0.42) PDE2AMEN1KMT2AIDO1TDO2
SCHEMBL717697 0.85 KIF11 (0.33) PDE2AKIF11MEN1KMT2ALMNA
SCHEMBL720511 0.78 IDO1 (0.36) MEN1KMT2AIDO1TDO2LMNA
SCHEMBL720741 0.77 RCE1 (0.40) EPHX2
SCHEMBL12922864 0.76 KIF11 (0.41) PDE2AKIF11MEN1KMT2APIM1
SCHEMBL719361 0.76 CSNK1D (0.34) PDE2AMEN1KMT2ACSNK1DKCNH2
SCHEMBL14905698 0.73 PDE2A (0.45) PDE2AMEN1KMT2AIDO1TDO2
SCHEMBL3099329 0.73 PDE2A (0.39) PDE2AMEN1KMT2AIDO1TDO2
SCHEMBL14905730 0.71 PDE2A (0.48) PDE2AMEN1KMT2AIDO1TDO2
SCHEMBL719528 0.70 RCE1 (0.39) CSNK1DEPHX2

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 804/4885KIF11 4399/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE2A 804/4885KIF11 4399/4885MEN1 444/4885

“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.