SCHEMBL5577582

SCHEMBL5577582

Cc1c(Cl)cccc1C(=O)NCc1ccnc(C2CCN(Cc3ccc(F)cc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 5/20 0.47
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
TP53 P04637 3/20 0.43
TOP1 P11387 2/20 0.43
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ACKR3 P25106 1/20 0.41
LMNA P02545 2/20 0.41
CHRM3 P20309 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
DRD3 P35462 2/20 0.41
HTR4 Q13639 1/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL5577815 0.96 MT-CO2 (0.48) MT-CO2ERCC1ERCC4TOP1KCNH2
SCHEMBL5715680 0.88 LMNA (0.45) LMNACHRM3SIGMAR1DRD3
SCHEMBL5577901 0.86 MT-CO2 (0.50) MT-CO2ERCC1ERCC4TP53TOP1
SCHEMBL5577554 0.85 MT-CO2 (0.55) MT-CO2ERCC1ERCC4TP53TOP1
SCHEMBL5577735 0.84 LMNA (0.46) ACKR3LMNACHRM3SIGMAR1MEN1
SCHEMBL5577773 0.83 MT-CO2 (0.45) MT-CO2TP53ACKR3DRD3MEN1
SCHEMBL5577911 0.83 MT-CO2 (0.45) MT-CO2TOP1LMNACHRM3KMT2A
SCHEMBL5577457 0.83 KCNH2 (0.51) KCNH2HRH3MEN1HTR2CKMT2A
SCHEMBL5577435 0.82 MT-CO2 (0.49) MT-CO2TOP1LMNACHRM3MEN1
SCHEMBL5577587 0.82 MT-CO2 (0.45) MT-CO2TP53KCNH2ACKR3LMNA

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 MT-CO2 2047/4885ERCC1 2600/4885ERCC4 1268/4885

“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.