SCHEMBL5577709

SCHEMBL5577709

COc1ccc(CN2CCN(c3ccc(CNC(=O)c4ccc(Cl)cc4)cc3)CC2C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.46
GFER P55789 1/20 0.46
LMNA P02545 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MCHR1 Q99705 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL5577602 0.92 SMN1; SMN2 (0.48) GAASMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL5577798 0.87 GAA (0.46) GAASMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL5577871 0.86 DRD2 (0.48) GAASMN1; SMN2L3MBTL1NPC1LMNA
SCHEMBL5577570 0.85 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPSR1POLBLMNA
SCHEMBL5577636 0.84 LMNA (0.46) SMN1; SMN2ALDH1A1NPC1GFERLMNA
SCHEMBL5577418 0.84 GAA (0.45) GAASMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL5577557 0.84 SCN2A (0.46) GAASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL5577800 0.84 GAA (0.45) GAASMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL5577629 0.82 ALDH1A1 (0.53) GAASMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL5577595 0.82 SMN1; SMN2 (0.58) GAASMN1; SMN2HTTNPSR1L3MBTL1

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 3806/4885SMN1; SMN2 2012/4885HTT 2459/4885

“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.