SCHEMBL720524

SCHEMBL720524

CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
LMNA P02545 2/20 0.37
HDAC4 P56524 1/20 0.37
ACACB O00763 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
PDE2A O00408 1/20 0.37
GCG P01275 3/20 0.37
PANK3 Q9H999 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL720617 0.87 KDM4E (0.39) LMNAHDAC4KDM4EABL1PDE2A
SCHEMBL718407 0.85 PDE2A (0.39) HRH3LMNAHDAC4KDM4EABL1
SCHEMBL720842 0.84 GCG (0.38) HRH3LMNAHDAC4KDM4EABL1
SCHEMBL718917 0.84 TMEM97 (0.38) HRH3LMNAHDAC4ACACBKDM4E
SCHEMBL721405 0.83 GCG (0.37) HRH3LMNAHDAC4KDM4EABL1
SCHEMBL720518 0.82 LMNA (0.37) HRH3LMNAHDAC4KDM4EABL1
SCHEMBL27852631 0.79 HDAC4 (0.40) LMNAHDAC4KDM4EABL1PDE2A
SCHEMBL720153 0.79 SMO (0.38) HDAC4GCGL3MBTL1
SCHEMBL27852632 0.77 HDAC4 (0.35) LMNAHDAC4KDM4EABL1PDE2A
SCHEMBL27834345 0.76 GCG (0.60) GCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN 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 HRH3 4146/4885LMNA 3028/4885HDAC4 157/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HRH3 4146/4885LMNA 3028/4885HDAC4 157/4885

“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.