SCHEMBL5577683

SCHEMBL5577683

COc1ccc(CN2CCC(c3ncsc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
ACKR3 P25106 3/20 0.45
ATM Q13315 1/20 0.45
MCHR1 Q99705 3/20 0.45
F10 P00742 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR1 P21554 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR3 P51677 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
SCHEMBL5577408 0.96 GAA (0.51) LMNASMN1; SMN2GAAALDH1A1POLB
SCHEMBL5577341 0.86 CHRM4 (0.47) MCHR1SIGMAR1
SCHEMBL5577640 0.85 HTR4 (0.43) LMNASMN1; SMN2ALDH1A1ACKR3ATM
SCHEMBL5577679 0.85 GAA (0.49) LMNASMN1; SMN2GAAALDH1A1POLB
SCHEMBL5577845 0.84 ACKR3 (0.53) LMNASMN1; SMN2GAAALDH1A1POLB
SCHEMBL5577842 0.84 GAA (0.48) LMNASMN1; SMN2GAAALDH1A1POLB
SCHEMBL14586598 0.83 LMNA (0.55) LMNASMN1; SMN2GAAALDH1A1POLB
SCHEMBL5577596 0.82 MCHR1 (0.47) LMNASMN1; SMN2GAAALDH1A1POLB
SCHEMBL5577718 0.82 LMNA (0.49) LMNASMN1; SMN2GAAALDH1A1POLB
SCHEMBL5577358 0.82 DRD2 (0.46) MCHR1SIGMAR1CCR3

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 LMNA 4819/4885SMN1; SMN2 2012/4885GAA 3806/4885

“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.