SCHEMBL720518

SCHEMBL720518

COCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
GCG P01275 4/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ABL1 P00519 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
PDE2A O00408 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HDAC4 P56524 1/20 0.33

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
SCHEMBL720842 0.89 GCG (0.38) LMNAALDH1A1MAPTGCGIDO1
SCHEMBL721405 0.87 GCG (0.37) LMNAMAPTGCGIDO1TDO2
SCHEMBL718365 0.86 PDE2A (0.36) IDO1TDO2HRH3PDE2AHCRTR1
SCHEMBL720617 0.84 KDM4E (0.39) LMNAALDH1A1MAPTGCGSMN1; SMN2
SCHEMBL720153 0.83 SMO (0.38) GCGL3MBTL1HDAC4
SCHEMBL718407 0.82 PDE2A (0.39) LMNAALDH1A1MAPTGCGKDM4E
SCHEMBL720524 0.82 HRH3 (0.37) LMNAMAPTGCGIDO1TDO2
SCHEMBL718917 0.81 TMEM97 (0.38) LMNAGCGIDO1TDO2KDM4E
SCHEMBL718337 0.81 DRD3 (0.36) LMNAHTTIDO1TDO2KDM4E
SCHEMBL27852631 0.78 HDAC4 (0.40) LMNAMAPTHTTGCGSMN1; SMN2

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 LMNA 3028/4885ALDH1A1 504/4885GAA 1254/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885ALDH1A1 504/4885GAA 1254/4885

“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.