SCHEMBL5577397

SCHEMBL5577397

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
CHRM3 P20309 5/20 0.51
ATM Q13315 1/20 0.49
WDR5 P61964 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
SCHEMBL5577722 0.93 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2CHRM3WDR5
SCHEMBL5577340 0.93 MEN1 (0.52) ALDH1A1POLBGAAKMT2AMEN1
SCHEMBL5577458 0.92 CHRM3 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2CHRM3
SCHEMBL5577493 0.92 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2CHRM3WDR5
SCHEMBL5577909 0.90 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2CHRM3WDR5
SCHEMBL5577893 0.90 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2CHRM3WDR5
SCHEMBL5577388 0.90 CHRM3 (0.60) KMT2AMEN1CHRM3WDR5
SCHEMBL5577524 0.90 NAMPT (0.51) ALDH1A1SMN1; SMN2CHRM3WDR5
SCHEMBL5577442 0.89 CHRM3 (0.58) SMN1; SMN2CHRM3WDR5
SCHEMBL5577743 0.86 MEN1 (0.54) ALDH1A1POLBKMT2AMEN1CHRM3

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 1147/4885POLB 3375/4885GAA 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.