SCHEMBL5577786

SCHEMBL5577786

COc1ccc(OC)c(CN2CCC(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
SIGMAR1 Q99720 1/20 0.49
CHRM3 P20309 2/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 2/20 0.44
CHRM4 P08173 1/20 0.44
ACKR3 P25106 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5577414 0.94 CHRM3 (0.48) MEN1KMT2APOLBCHRM3KDM4E
SCHEMBL5577724 0.91 ACKR3 (0.50) MEN1KMT2ASIGMAR1CHRM3ALDH1A1
SCHEMBL5577427 0.89 ACKR3 (0.55) KMT2APOLBCHRM3ALDH1A1DRD2
SCHEMBL5577288 0.89 CHRM3 (0.56) MEN1KMT2APOLBACHECHRM3
SCHEMBL5577658 0.89 CHRM3 (0.47) MEN1KMT2APOLBCHRM3ALDH1A1
SCHEMBL5577295 0.88 SMN1; SMN2 (0.53) MEN1KMT2APOLBBCHEACHE
SCHEMBL5577685 0.88 KMT2A (0.46) MEN1KMT2APOLBCHRM3ALDH1A1
SCHEMBL5577332 0.86 KMT2A (0.48) MEN1KMT2APOLBBCHEACHE
SCHEMBL5577672 0.85 KMT2A (0.51) MEN1KMT2APOLBSIGMAR1CHRM3
SCHEMBL5577541 0.84 PTBP1 (0.50) MEN1KMT2APOLBKDM4EALDH1A1

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 MEN1 748/4885KMT2A 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.