SCHEMBL5577452

SCHEMBL5577452

COc1cccc(N(Cc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ACHE P22303 1/20 0.45
ATM Q13315 1/20 0.43
CCR3 P51677 3/20 0.42
MAPK1 P28482 1/20 0.41
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL5577311 0.90 MEN1 (0.46) MEN1KMT2AACHEATM
SCHEMBL5577775 0.89 ALDH1A1 (0.47) MEN1KMT2AACHEATMPER2
SCHEMBL5577258 0.89 RECQL (0.54) MEN1KMT2AACHEATMPER2
SCHEMBL5577364 0.88 MEN1 (0.46) MEN1KMT2AACHESIGMAR1
SCHEMBL5577266 0.86 MEN1 (0.46) MEN1KMT2AATMCCR3MAPK1
SCHEMBL5577289 0.85 MEN1 (0.53) MEN1KMT2AACHEATMMAPK1
SCHEMBL5577412 0.84 ACHE (0.60) MEN1KMT2AACHEATMCCR3
SCHEMBL5577801 0.84 ACHE (0.52) MEN1KMT2AACHEATMCCR3
SCHEMBL5577590 0.84 MEN1 (0.41) MEN1KMT2AACHEATMMAPK1
SCHEMBL5577270 0.84 MEN1 (0.44) MEN1KMT2AACHEATMSIGMAR1

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 3527/4885ACHE 1504/4885

“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.