SCHEMBL5577323

SCHEMBL5577323

COc1ccc(CN2CCC(C#N)(c3ncsc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
GAA P10253 2/20 0.44
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
DRD4 P21917 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR3 P51677 1/20 0.40
F10 P00742 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL5577842 0.90 GAA (0.48) KCNH2GAAMCHR1ALDH1A1POLB
SCHEMBL5577487 0.87 PRKAA2 (0.47) KCNH2MCHR1
SCHEMBL5577863 0.86 KDM4E (0.39) KCNH2ALDH1A1POLBLMNAPDE4A
SCHEMBL5577794 0.85 GAA (0.44) KCNH2GAAMCHR1LMNASMN1; SMN2
SCHEMBL5577668 0.84 PDE4A (0.52) KCNH2GAAMCHR1ALDH1A1POLB
SCHEMBL5577728 0.83 GAA (0.44) KCNH2GAAMCHR1ALDH1A1POLB
SCHEMBL5577375 0.83 GAA (0.46) KCNH2GAAMCHR1ALDH1A1POLB
SCHEMBL5577679 0.82 GAA (0.49) GAAMCHR1ALDH1A1POLBLMNA
SCHEMBL5577460 0.81 CHRM3 (0.50) KCNH2GAAALDH1A1LMNASMN1; SMN2
SCHEMBL5577287 0.81 ACKR3 (0.48) KCNH2GAAMCHR1ALDH1A1LMNA

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 2 patents. 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
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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 (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 KCNH2 3617/4885GAA 3806/4885MCHR1 4381/4885

“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.