SCHEMBL5577418

SCHEMBL5577418

COc1ccc(CN2CCN(c3ncc(CNC(=O)c4ccc(Cl)cc4)s3)CC2C)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 4/20 0.44
CXCR3 P49682 3/20 0.42
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
ROCK2 O75116 2/20 0.40
F10 P00742 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL5577797 0.87 GAA (0.49) GAAALDH1A1MCHR1L3MBTL1SMN1; SMN2
SCHEMBL5577938 0.87 CXCR3 (0.44) CXCR3L3MBTL1SMN1; SMN2
SCHEMBL5577758 0.86 LMNA (0.41) ALDH1A1
SCHEMBL5577416 0.85 ALDH1A1 (0.46) GAAALDH1A1CXCR3MCHR1L3MBTL1
SCHEMBL5577473 0.84 ALDH1A1 (0.51) GAAALDH1A1MCHR1L3MBTL1SMN1; SMN2
SCHEMBL5577709 0.84 GAA (0.51) GAAALDH1A1MCHR1L3MBTL1SMN1; SMN2
SCHEMBL5577800 0.83 GAA (0.45) GAAALDH1A1CXCR3MCHR1L3MBTL1
SCHEMBL5577798 0.83 GAA (0.46) GAAALDH1A1CXCR3L3MBTL1SMN1; SMN2
SCHEMBL5577557 0.81 SCN2A (0.46) GAAALDH1A1CXCR3MCHR1L3MBTL1
SCHEMBL5577871 0.81 DRD2 (0.48) GAAMCHR1L3MBTL1SMN1; 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 GAA 3806/4885ALDH1A1 1147/4885CXCR3 32/4885

“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.