SCHEMBL717244

SCHEMBL717244

O=Cc1cn(-c2ccc(C(F)(F)F)cn2)nc1CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.43
HDAC4 P56524 1/20 0.39
SGPL1 O95470 1/20 0.38
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM4 P08173 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 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
SCHEMBL719960 0.85 SMN1; SMN2 (0.39) SMOHDAC4SMN1; SMN2LMNAMAPT
SCHEMBL6035530 0.83 SMN1; SMN2 (0.38) SMOHDAC4SMN1; SMN2LMNAMAPT
SCHEMBL718302 0.82 SMN1; SMN2 (0.40) SMOHDAC4SMN1; SMN2LMNAMAPT
SCHEMBL719795 0.80 SMN1; SMN2 (0.38) SMOHDAC4HTTSMN1; SMN2LMNA
SCHEMBL719513 0.77 SMN1; SMN2 (0.52) SMOHDAC4HTTSMN1; SMN2LMNA
SCHEMBL27834220 0.76 HDAC4 (0.41) SMOHDAC4HTTSMN1; SMN2LMNA
SCHEMBL716206 0.76 KDM4E (0.44) SMOHDAC4HTTSMN1; SMN2LMNA
SCHEMBL717946 0.75 PTGS2 (0.55) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL721436 0.74 MAPT (0.40) HDAC4SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6035839 0.74 SMN1; SMN2 (0.39) HDAC4SMN1; SMN2LMNAMAPTALDH1A1

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 SMO 307/4885HDAC4 157/4885SGPL1 3140/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMO 307/4885HDAC4 157/4885SGPL1 3140/4885

“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.