SCHEMBL5577332

SCHEMBL5577332

COc1cc(CN2CCC(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SIGMAR1 Q99720 1/20 0.47
CHRM3 P20309 1/20 0.46
CCR5 P51681 3/20 0.45
LMNA P02545 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
NAMPT P43490 1/20 0.44
POLB P06746 1/20 0.44
MCHR1 Q99705 1/20 0.43
DRD2 P14416 2/20 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
SCHEMBL5577295 0.92 SMN1; SMN2 (0.53) KMT2AMEN1SIGMAR1CHRM3CCR5
SCHEMBL5577685 0.90 KMT2A (0.46) KMT2AMEN1CHRM3CCR5LMNA
SCHEMBL5577724 0.88 ACKR3 (0.50) KMT2AMEN1SIGMAR1CHRM3CCR5
SCHEMBL5577427 0.88 ACKR3 (0.55) KMT2ACHRM3ALDH1A1GAAPOLB
SCHEMBL5577288 0.88 CHRM3 (0.56) KMT2AMEN1CHRM3ACHEALDH1A1
SCHEMBL5577672 0.88 KMT2A (0.51) KMT2AMEN1SIGMAR1CHRM3CCR5
SCHEMBL5577402 0.88 MEN1 (0.56) KMT2AMEN1SIGMAR1LMNAACHE
SCHEMBL5577658 0.87 CHRM3 (0.47) KMT2AMEN1CHRM3CCR5ALDH1A1
SCHEMBL5577414 0.86 CHRM3 (0.48) KMT2AMEN1CHRM3LMNAKDM4E
SCHEMBL5577786 0.86 MEN1 (0.50) KMT2AMEN1SIGMAR1CHRM3BCHE

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 KMT2A 3527/4885MEN1 748/4885SIGMAR1 3281/4885

“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.