SCHEMBL5577596

SCHEMBL5577596

COc1ccc(CN2CCCN(c3ncsc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
DRD4 P21917 3/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR3 P51677 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CXCR3 P49682 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
SCHEMBL5577679 0.97 GAA (0.49) MCHR1ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5577738 0.87 OPRM1 (0.52) MCHR1MAPTDRD2DRD3DRD4
SCHEMBL5577827 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTUSP2
SCHEMBL5577784 0.84 GAA (0.47) MCHR1ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5577800 0.84 GAA (0.45) MCHR1ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5577763 0.84 SCN2A (0.53) MCHR1ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5577595 0.83 SMN1; SMN2 (0.58) MCHR1ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5577660 0.83 CXCR3 (0.48) MCHR1GAAMAPTCXCR3
SCHEMBL5577473 0.82 ALDH1A1 (0.51) MCHR1ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5577683 0.82 LMNA (0.49) MCHR1ALDH1A1GAAPOLBSMN1; SMN2

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 MCHR1 4381/4885ALDH1A1 1147/4885GAA 3806/4885

“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.