SCHEMBL5577797

SCHEMBL5577797

COc1ccc(CN2CCN(c3ncc(CNC(=O)c4ccc(Cl)cc4)s3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DRD4 P21917 2/20 0.47
MCHR1 Q99705 1/20 0.46
CCR3 P51677 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5577473 0.97 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5577418 0.87 GAA (0.45) GAAALDH1A1SMN1; SMN2MCHR1POLB
SCHEMBL5577416 0.87 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2LMNAMCHR1
SCHEMBL5577718 0.85 LMNA (0.49) GAAALDH1A1SMN1; SMN2LMNAMCHR1
SCHEMBL5577855 0.85 GLS (0.49) SMN1; SMN2MAPTLMNAMCHR1L3MBTL1
SCHEMBL5577386 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL5577293 0.84 GAA (0.47) GAAALDH1A1SMN1; SMN2LMNAMCHR1
SCHEMBL5577552 0.83 GAA (0.49) GAAALDH1A1SMN1; SMN2LMNADRD2
SCHEMBL5577609 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNAUSP2
SCHEMBL5577887 0.82 OPRM1 (0.51) SMN1; SMN2MAPTLMNADRD2DRD3

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 GAA 3806/4885ALDH1A1 1147/4885SMN1; SMN2 2012/4885

“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.