SCHEMBL5577879

SCHEMBL5577879

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccc(Cl)cc4)c3)C(C)C2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
CHRM3 P20309 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACKR3 P25106 3/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
CXCR3 P49682 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL5577629 0.92 ALDH1A1 (0.53) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL5578697 0.87 CXCR3 (0.52) ALDH1A1CHRM3LMNACXCR3HDAC1
SCHEMBL5577568 0.86 LMNA (0.49) ALDH1A1CHRM3SMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL5577682 0.85 SMN1; SMN2 (0.59) ALDH1A1GAAPOLBCHRM3SMN1; SMN2
SCHEMBL5577739 0.85 CXCR3 (0.51) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL5577511 0.85 ACKR3 (0.49) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL5577602 0.84 SMN1; SMN2 (0.48) ALDH1A1GAACHRM3SMN1; SMN2LMNA
SCHEMBL5577869 0.83 SMN1; SMN2 (0.56) ALDH1A1GAAPOLBCHRM3SMN1; SMN2
SCHEMBL5577347 0.83 GAA (0.46) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL5577897 0.82 GAA (0.54) ALDH1A1GAAPOLBCHRM3SMN1; 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 ALDH1A1 1147/4885GAA 3806/4885POLB 3375/4885

“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.