SCHEMBL5577720

SCHEMBL5577720

Cc1c(Cl)cccc1C(=O)NCc1cnc(C2CCN(Cc3ccc(F)cc3)C2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.44
DRD3 P35462 2/20 0.42
LMNA P02545 2/20 0.42
HTR2C P28335 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRA2B P18089 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 3/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL5577334 0.96 MT-CO2 (0.45) MT-CO2DRD3LMNAHTR2CMEN1
SCHEMBL5577426 0.88 PDE5A (0.41) DRD3LMNAMEN1KMT2ASIGMAR1
SCHEMBL5577633 0.83 JAK1 (0.43) LMNAHTR2CMEN1HTR2BKMT2A
SCHEMBL5577283 0.83 MT-CO2 (0.43) MT-CO2DRD3LMNAHTR2CMEN1
SCHEMBL5577923 0.83 HTR2C (0.46) HTR2CMEN1KMT2AKCNH2MCHR1
SCHEMBL5577554 0.83 MT-CO2 (0.55) MT-CO2DRD3LMNAMEN1KMT2A
SCHEMBL5577587 0.83 MT-CO2 (0.45) MT-CO2DRD3LMNAHTR2CMEN1
SCHEMBL5577474 0.82 MT-CO2 (0.46) MT-CO2LMNATP53PRKAA2ALDH1A1
SCHEMBL5577582 0.81 MT-CO2 (0.47) MT-CO2DRD3LMNAHTR2CMEN1
SCHEMBL5577773 0.81 MT-CO2 (0.45) MT-CO2DRD3HTR2CMEN1KMT2A

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 2047/4885DRD3 4080/4885LMNA 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.