SCHEMBL5577552

SCHEMBL5577552

COc1ccc(CN2CCC(c3ncc(CNC(=O)c4ccc(Cl)cc4)s3)C2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.46
DRD4 P21917 7/20 0.45
DRD2 P14416 1/20 0.45
MCHR1 Q99705 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ACKR3 P25106 1/20 0.43
CCR2 P41597 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL5577718 0.96 LMNA (0.49) GAAPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL5577923 0.86 HTR2C (0.46) DRD4DRD2MCHR1CCR2
SCHEMBL5577426 0.85 PDE5A (0.41) POLBALDH1A1LMNASMN1; SMN2DRD4
SCHEMBL5577416 0.83 ALDH1A1 (0.46) GAAPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL5577315 0.83 GAA (0.57) GAAPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL5577797 0.83 GAA (0.49) GAAPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL5577408 0.82 GAA (0.51) GAAPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL5577860 0.82 GAA (0.53) GAAPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL5577633 0.81 JAK1 (0.43) ALDH1A1LMNASMN1; SMN2ATMBCHE
SCHEMBL5577544 0.81 CXCR3 (0.46) MCHR1

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 3806/4885POLB 3375/4885ALDH1A1 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.