SCHEMBL721405

SCHEMBL721405

CCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ABL1 P00519 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
PDE2A O00408 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
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 0.34
KMT2A Q03164 1/20 0.34
S100A4 P26447 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 0.92 GCG (0.38) GCGSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL720153 0.88 SMO (0.38) GCGHDAC4S100A4
SCHEMBL720518 0.87 LMNA (0.37) GCGSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL720617 0.85 KDM4E (0.39) GCGSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL718407 0.83 PDE2A (0.39) GCGLMNAKDM4EABL1CYP11B1
SCHEMBL720524 0.83 HRH3 (0.37) GCGSMN1; SMN2LMNAKDM4EABL1
SCHEMBL718917 0.82 TMEM97 (0.38) GCGLMNAKDM4EABL1CYP11B1
SCHEMBL717911 0.77 PDE2A (0.39) CYP11B1CYP11B2PDE2AIDO1TDO2
SCHEMBL27852631 0.77 HDAC4 (0.40) GCGSMN1; SMN2LMNAKDM4EABL1
SCHEMBL718099 0.76 GCG (0.65) GCGGCGR

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 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.