SCHEMBL5577412

SCHEMBL5577412

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.60
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CCR3 P51677 3/20 0.45
SIGMAR1 Q99720 1/20 0.44
ATM Q13315 1/20 0.43
USP2 O75604 1/20 0.43
CACNA1G O43497 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
SCHEMBL5577801 0.92 ACHE (0.52) ACHEMEN1KMT2ACCR3SIGMAR1
SCHEMBL5577309 0.90 ACHE (0.57) ACHEMEN1KMT2ASIGMAR1CACNA1G
SCHEMBL5577782 0.89 MEN1 (0.50) ACHEMEN1KMT2ACCR3SIGMAR1
SCHEMBL5577631 0.89 ACHE (0.52) ACHEMEN1KMT2ASIGMAR1USP2
SCHEMBL5577466 0.89 ACHE (0.52) ACHEMEN1KMT2ASIGMAR1ATM
SCHEMBL5577665 0.88 ACHE (0.59) ACHEMEN1KMT2ASIGMAR1
SCHEMBL5577670 0.86 MEN1 (0.49) ACHEMEN1KMT2ACCR3SIGMAR1
SCHEMBL5577452 0.84 MEN1 (0.45) ACHEMEN1KMT2ACCR3SIGMAR1
SCHEMBL5577319 0.84 MEN1 (0.52) ACHEMEN1KMT2ASIGMAR1ATM
SCHEMBL5577523 0.84 ACHE (0.56) ACHEMEN1KMT2ASIGMAR1

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 ACHE 1504/4885MEN1 748/4885KMT2A 3527/4885

“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.