SCHEMBL5577375

SCHEMBL5577375

COc1ccc(CN2CCC(C#N)(c3cc(CNC(=O)c4ccc(Cl)cc4)ccn3)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRM3 P20309 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
MCHR1 Q99705 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CXCR3 P49682 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5577627 0.89 GAA (0.48) GAAALDH1A1CHRM3SMN1; SMN2LMNA
SCHEMBL5577668 0.87 PDE4A (0.52) GAAKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL5577432 0.87 PRKAA2 (0.47) KCNH2CHRM3MCHR1CXCR3
SCHEMBL5577848 0.86 LMNA (0.45) KCNH2ALDH1A1CHRM3LMNAPOLB
SCHEMBL5577460 0.86 CHRM3 (0.50) GAAKCNH2ALDH1A1CHRM3SMN1; SMN2
SCHEMBL5577794 0.85 GAA (0.44) GAAKCNH2SMN1; SMN2LMNAMAPT
SCHEMBL5577728 0.83 GAA (0.44) GAAKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL5577323 0.83 KCNH2 (0.46) GAAKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL5577287 0.83 ACKR3 (0.48) GAAKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL5577317 0.81 GAA (0.51) GAAALDH1A1CHRM3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C GAA 3806/4885KCNH2 3617/4885ALDH1A1 1147/4885

“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.