SCHEMBL5577901

SCHEMBL5577901

Cc1c(Cl)cccc1C(=O)NCc1cccc(C2CCN(Cc3ccc(F)cc3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 6/20 0.50
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
ACKR3 P25106 1/20 0.46
TOP1 P11387 2/20 0.45
TP53 P04637 2/20 0.45
CHRM3 P20309 1/20 0.45
PDPK1 O15530 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR4 Q13639 1/20 0.43
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
CHRM4 P08173 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
SCHEMBL5577554 0.92 MT-CO2 (0.55) MT-CO2ERCC1ERCC4ACKR3TOP1
SCHEMBL5577359 0.87 DRD2 (0.47) ACKR3CHRM3SIGMAR1DRD3LMNA
SCHEMBL5577582 0.86 MT-CO2 (0.47) MT-CO2ERCC1ERCC4ACKR3TOP1
SCHEMBL5577507 0.84 MT-CO2 (0.50) MT-CO2ACKR3TP53SIGMAR1HTR4
SCHEMBL5577815 0.83 MT-CO2 (0.48) MT-CO2ERCC1ERCC4ACKR3TOP1
SCHEMBL5577381 0.83 CHRM3 (0.53) ACKR3CHRM3SIGMAR1MEN1KMT2A
SCHEMBL5577302 0.82 MT-CO2 (0.48) MT-CO2ACKR3TOP1CHRM3MEN1
SCHEMBL5577846 0.81 MT-CO2 (0.51) MT-CO2ACKR3SIGMAR1HTR4DRD3
SCHEMBL5577773 0.81 MT-CO2 (0.45) MT-CO2ACKR3TP53DRD3MEN1
SCHEMBL5577587 0.81 MT-CO2 (0.45) MT-CO2ACKR3TP53SIGMAR1HTR4

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.