SCHEMBL5577773

SCHEMBL5577773

Cc1c(Cl)cccc1C(=O)NCc1cccnc1C1CCN(Cc2ccc(F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 2/20 0.45
TP53 P04637 2/20 0.44
MAPK8 P45983 1/20 0.43
MCHR1 Q99705 4/20 0.43
HTR2C P28335 3/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NR3C1 P04150 1/20 0.41
KLKB1 P03952 1/20 0.40
PRKAA2 P54646 1/20 0.40
DRD3 P35462 1/20 0.40
P2RX7 Q99572 2/20 0.40
ACKR3 P25106 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
SCHEMBL5577754 0.96 MT-CO2 (0.46) MT-CO2TP53MAPK8MCHR1HTR2C
SCHEMBL5577605 0.87 LMNA (0.45) TP53DRD3ACKR3
SCHEMBL5577507 0.86 MT-CO2 (0.50) MT-CO2TP53MCHR1HTR2CNR3C1
SCHEMBL5577587 0.85 MT-CO2 (0.45) MT-CO2TP53HTR2CKMT2AMEN1
SCHEMBL5577846 0.84 MT-CO2 (0.51) MT-CO2MCHR1KMT2AMEN1PRKAA2
SCHEMBL5577641 0.84 MCHR1 (0.51) TP53MCHR1HTR2CKMT2AMEN1
SCHEMBL5577554 0.83 MT-CO2 (0.55) MT-CO2TP53MCHR1KMT2AMEN1
SCHEMBL5577582 0.83 MT-CO2 (0.47) MT-CO2TP53HTR2CKMT2AMEN1
SCHEMBL5577850 0.83 LMNA (0.45) TP53DRD3ACKR3
SCHEMBL5577376 0.83 MAPK8 (0.43) MT-CO2TP53MAPK8MCHR1HTR2C

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 2047/4885TP53 397/4885MAPK8 563/4885

“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.