SCHEMBL1707707

SCHEMBL1707707

COC(=O)c1cccc(Nc2ccccc2NC(=O)[C@@H]2CCCO2)c1C

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.75
KDM4E B2RXH2 6/20 0.75
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 4/20 0.56
HPGD P15428 4/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 6/20 0.55
LMNA P02545 1/20 0.53
HTT P42858 2/20 0.51
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL1708514 0.89 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1708448 0.89 KDM4E (0.62) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1707835 0.87 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1708521 0.86 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL15120766 0.80 HSD17B10 (0.68) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1708278 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL16383886 0.75 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4603679 0.75 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17712428 0.74 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8667637 0.72 RAB9A (0.75) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO 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 (1 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R SMN1; SMN2 4287/4885KDM4E 3896/4885ALDH1A1 3930/4885

“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.