SCHEMBL5577595

SCHEMBL5577595

COc1ccc(CN2CCCN(c3ccc(CNC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 2/20 0.56
DRD2 P14416 3/20 0.56
DRD3 P35462 3/20 0.56
DRD4 P21917 2/20 0.56
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MCHR1 Q99705 1/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.50
GFER P55789 1/20 0.50
CCR3 P51677 1/20 0.49

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
SCHEMBL5577869 0.91 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
Hydrochloric Acid SCHEMBL5577682 0.86 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL5577757 0.86 MCHR1 (0.49) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL5577320 0.86 DRD2 (0.58) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL5577580 0.84 MAPT (0.62) SMN1; SMN2ALDH1A1MAPTLMNADRD2
SCHEMBL5577861 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL5577763 0.83 SCN2A (0.53) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL5577596 0.83 MCHR1 (0.47) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL5577473 0.83 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL5577629 0.82 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAPOLBL3MBTL1

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 2012/4885ALDH1A1 1147/4885MAPT 449/4885

“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.