SCHEMBL5577658

SCHEMBL5577658

COc1cc(OC)c(CN2CCC(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.44
CHRM4 P08173 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ACKR3 P25106 2/20 0.43
USP5 P45974 1/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 1/20 0.43
GAA P10253 1/20 0.43
CCR5 P51681 1/20 0.42
PTPN1 P18031 1/20 0.42
TSHR P16473 1/20 0.42
CXCR3 P49682 1/20 0.42

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
SCHEMBL5577685 0.94 KMT2A (0.46) CHRM3KMT2APOLBMEN1ALDH1A1
SCHEMBL5577414 0.90 CHRM3 (0.48) CHRM3KMT2APOLBMEN1CHRM4
SCHEMBL5577288 0.89 CHRM3 (0.56) CHRM3KMT2APOLBMEN1CHRM4
SCHEMBL5577427 0.89 ACKR3 (0.55) CHRM3KMT2APOLBCHRM4ALDH1A1
SCHEMBL5577786 0.89 MEN1 (0.50) CHRM3KMT2APOLBMEN1CHRM4
SCHEMBL5577724 0.87 ACKR3 (0.50) CHRM3KMT2AMEN1CHRM4ALDH1A1
SCHEMBL5577332 0.87 KMT2A (0.48) CHRM3KMT2APOLBMEN1ALDH1A1
SCHEMBL5577295 0.87 SMN1; SMN2 (0.53) CHRM3KMT2APOLBMEN1ALDH1A1
SCHEMBL5577672 0.85 KMT2A (0.51) CHRM3KMT2APOLBMEN1ACKR3
SCHEMBL5577402 0.85 MEN1 (0.56) KMT2AMEN1CHRM4ALDH1A1DRD2

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 CHRM3 2099/4885KMT2A 3527/4885POLB 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.