SCHEMBL5577798

SCHEMBL5577798

COc1ccc(CN2CCN(c3cc(CNC(=O)c4ccc(Cl)cc4)ccn3)CC2C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CXCR3 P49682 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
ROCK2 O75116 1/20 0.43
F10 P00742 1/20 0.42

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
SCHEMBL5577898 0.88 CXCR3 (0.48) MAPTCXCR3POLB
SCHEMBL5577709 0.87 GAA (0.51) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5577317 0.87 GAA (0.51) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5577915 0.86 LMNA (0.44) MAPTLMNA
SCHEMBL5577602 0.85 SMN1; SMN2 (0.48) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5577557 0.84 SCN2A (0.46) GAAMAPTALDH1A1CXCR3SMN1; SMN2
SCHEMBL5577739 0.84 CXCR3 (0.51) GAAMAPTALDH1A1CXCR3SMN1; SMN2
SCHEMBL5577757 0.84 MCHR1 (0.49) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5577418 0.83 GAA (0.45) GAAALDH1A1CXCR3SMN1; SMN2L3MBTL1
SCHEMBL5577800 0.83 GAA (0.45) GAAALDH1A1CXCR3SMN1; 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 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 3806/4885MAPT 449/4885ALDH1A1 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.