SCHEMBL720617

SCHEMBL720617

Cc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 5/20 0.38
CNR1 P21554 4/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
PDE2A O00408 1/20 0.38
KMT2A Q03164 1/20 0.38
GCG P01275 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD11B1 P28845 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL718407 0.89 PDE2A (0.39) KDM4EPOLBCNR2CNR1ABL1
SCHEMBL720524 0.87 HRH3 (0.37) KDM4ECNR2CNR1ABL1LMNA
SCHEMBL720842 0.86 GCG (0.38) KDM4ECNR2CNR1ABL1LMNA
SCHEMBL718917 0.86 TMEM97 (0.38) KDM4ECNR2CNR1ABL1LMNA
SCHEMBL721405 0.85 GCG (0.37) KDM4ECNR2CNR1ABL1LMNA
SCHEMBL717320 0.84 PDE2A (0.41) LMNAPDE2AKMT2ASMN1; SMN2
SCHEMBL720518 0.84 LMNA (0.37) KDM4ECNR2CNR1ABL1LMNA
SCHEMBL27852631 0.81 HDAC4 (0.40) KDM4EABL1LMNAPDE2AGCG
SCHEMBL720153 0.80 SMO (0.38) GCGL3MBTL1HDAC4
SCHEMBL719576 0.80 SMN1; SMN2 (0.41) POLBCNR2CNR1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 1907/4885POLB 4719/4885CNR2 1387/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885POLB 4719/4885CNR2 1387/4885

“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.