SCHEMBL5577540

SCHEMBL5577540

CS(=O)(=O)c1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 2/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
USP5 P45974 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 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
SCHEMBL5577393 0.92 CHRM3 (0.55) CHRM3MEN1KMT2AHTR1AUSP5
SCHEMBL5577455 0.89 CHRM3 (0.57) CHRM3
SCHEMBL5577388 0.87 CHRM3 (0.60) CHRM3MEN1KMT2AHTR1A
SCHEMBL5577409 0.87 MAPK1 (0.63) CHRM3MEN1KMT2AHTR1AMAPK1
SCHEMBL5577765 0.85 CHRM3 (0.47) CHRM3MEN1KMT2APKM
SCHEMBL5577397 0.84 ALDH1A1 (0.55) CHRM3MEN1KMT2A
SCHEMBL5577340 0.84 MEN1 (0.52) CHRM3MEN1KMT2A
SCHEMBL5577732 0.82 CHRM3 (0.65) CHRM3MEN1KMT2AHTR1A
SCHEMBL5577772 0.80 KDM4E (0.54) CHRM3MEN1KMT2AHTR1AMAPK1
SCHEMBL5577729 0.79 CHRM3 (0.60) CHRM3MEN1KMT2AHTR1ATDP1

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 CHRM3 2099/4885MEN1 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.