SCHEMBL5577351

SCHEMBL5577351

COc1ccccc1CN(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ATM Q13315 1/20 0.50
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DRD3 P35462 1/20 0.43
CHRM4 P08173 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL5577766 0.91 APLNR (0.48) MEN1KMT2AATMPOLBACHE
SCHEMBL5577994 0.89 MEN1 (0.48) MEN1KMT2ABCHEACHESIGMAR1
SCHEMBL5577438 0.88 KDM4E (0.44) MEN1KMT2AATMBCHEACHE
SCHEMBL5577830 0.88 MEN1 (0.49) MEN1KMT2AATMBCHEACHE
SCHEMBL5577289 0.88 MEN1 (0.53) MEN1KMT2AATMMAPK1POLB
SCHEMBL5577266 0.87 MEN1 (0.46) MEN1KMT2AATMMAPK1SIGMAR1
SCHEMBL5577284 0.87 MCHR1 (0.43) MEN1KMT2AMAPK1BCHEACHE
SCHEMBL5577707 0.87 MEN1 (0.45) MEN1KMT2AATMBCHEACHE
SCHEMBL5577468 0.85 MEN1 (0.54) MEN1KMT2AATMMAPK1ACHE
SCHEMBL5577363 0.85 LMNA (0.52) MEN1KMT2ABCHEACHESIGMAR1

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 3527/4885ATM 2801/4885

“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.