SCHEMBL5577624

SCHEMBL5577624

CSc1ccccc1C(=O)NCc1cccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRM3 P20309 2/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
DRD4 P21917 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD2 P14416 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
SCHEMBL5577377 0.87 LMNA (0.53) LMNAKDM4EALDH1A1SMN1; SMN2CHRM3
SCHEMBL5577389 0.87 CHRM3 (0.61) KMT2ALMNAMEN1HTTKDM4E
SCHEMBL5577742 0.87 CHRM3 (0.52) KMT2AGAALMNAMEN1MAPK1
SCHEMBL5577914 0.83 CHRM3 (0.59) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5577821 0.81 POLB (0.55) MAPK1CHRM3HTR1AHTR7DRD4
SCHEMBL5577771 0.80 DRD2 (0.53) LMNAKDM4EALDH1A1SMN1; SMN2DRD4
SCHEMBL5577598 0.79 LMNA (0.54) GAALMNAKDM4EALDH1A1CHRM3
SCHEMBL5577721 0.79 ALDH1A1 (0.58) KMT2ALMNAMEN1MAPK1HTT
SCHEMBL5577761 0.79 CHRM3 (0.58) LMNAKDM4EALDH1A1SMN1; SMN2CHRM3
SCHEMBL5577257 0.77 POLB (0.46) KDM4EALDH1A1CHRM3HTR2AHTR2C

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 KMT2A 3527/4885GAA 3806/4885LMNA 4819/4885

“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.