SCHEMBL720842

SCHEMBL720842

CCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ABL1 P00519 1/20 0.36
PDE2A O00408 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
HDAC4 P56524 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL721405 0.92 GCG (0.37) GCGSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL720518 0.89 LMNA (0.37) GCGSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL720617 0.86 KDM4E (0.39) GCGSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL720153 0.85 SMO (0.38) GCGHDAC4
SCHEMBL717911 0.85 PDE2A (0.39) PDE2ACYP11B1CYP11B2IDO1TDO2
SCHEMBL718407 0.84 PDE2A (0.39) GCGLMNAKDM4EABL1PDE2A
SCHEMBL720524 0.84 HRH3 (0.37) GCGSMN1; SMN2LMNAKDM4EABL1
SCHEMBL718917 0.83 TMEM97 (0.38) GCGLMNAKDM4EABL1PDE2A
SCHEMBL27852631 0.79 HDAC4 (0.40) GCGSMN1; SMN2LMNAKDM4EABL1
SCHEMBL27852389 0.77 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 GCG 35/4885SMN1; SMN2 1051/4885HPGD 486/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885SMN1; SMN2 1051/4885HPGD 486/4885

“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.