SCHEMBL5577602

SCHEMBL5577602

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccc(Cl)cc4)c3)CC2C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL5577709 0.92 GAA (0.51) SMN1; SMN2GAAALDH1A1LMNAMAPT
SCHEMBL5577851 0.87 CHRM3 (0.46) SMN1; SMN2TP53LMNAMAPTCHRM3
SCHEMBL5577988 0.86 LMNA (0.47) SMN1; SMN2TP53LMNATSHRMAPK1
Hydrochloric Acid SCHEMBL5577682 0.85 SMN1; SMN2 (0.59) SMN1; SMN2GAATP53ALDH1A1LMNA
SCHEMBL5577798 0.85 GAA (0.46) SMN1; SMN2GAAALDH1A1ROCK2LMNA
SCHEMBL5577871 0.85 DRD2 (0.48) SMN1; SMN2GAATP53LMNAMAPT
SCHEMBL5577879 0.84 ALDH1A1 (0.50) SMN1; SMN2GAATP53ALDH1A1LMNA
SCHEMBL5577869 0.83 SMN1; SMN2 (0.56) SMN1; SMN2GAATP53ALDH1A1ROCK2
SCHEMBL5577557 0.83 SCN2A (0.46) SMN1; SMN2GAAALDH1A1MAPTL3MBTL1
SCHEMBL5577800 0.81 GAA (0.45) SMN1; SMN2GAAALDH1A1LMNAL3MBTL1

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 SMN1; SMN2 2012/4885GAA 3806/4885TP53 397/4885

“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.