SCHEMBL5577752

SCHEMBL5577752

Cc1c(Cl)cccc1C(=O)NCc1cccnc1N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 2/20 0.47
EPHX2 P34913 2/20 0.47
GPR6 P46095 2/20 0.46
TP53 P04637 1/20 0.45
MAPK8 P45983 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PRKAA2 P54646 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NR3C1 P04150 1/20 0.42
CHIA Q9BZP6 1/20 0.42
HTR2C P28335 1/20 0.42
MCHR1 Q99705 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
SCHEMBL5577599 0.97 P2RX7 (0.46) MT-CO2EPHX2GPR6TP53MAPK8
SCHEMBL5577376 0.87 MAPK8 (0.43) MT-CO2TP53MAPK8KMT2AMEN1
SCHEMBL5577589 0.87 MT-CO2 (0.43) MT-CO2EPHX2TP53MAPK8KMT2A
SCHEMBL5577621 0.87 LMNA (0.47) EPHX2TP53KDM4EKMT2AMEN1
SCHEMBL5577754 0.84 MT-CO2 (0.46) MT-CO2TP53MAPK8PRKAA2KMT2A
SCHEMBL5577723 0.84 MT-CO2 (0.46) MT-CO2TP53MAPK8PRKAA2KMT2A
SCHEMBL5577558 0.84 MT-CO2 (0.47) MT-CO2GPR6TP53PRKAA2
SCHEMBL5577253 0.84 P2RX7 (0.44) EPHX2TP53KDM4EKMT2AMEN1
SCHEMBL5577645 0.83 SCN10A (0.54) EPHX2KDM4EPRKAA2KMT2AMEN1
SCHEMBL5577435 0.82 MT-CO2 (0.49) MT-CO2KDM4EPRKAA2KMT2AMEN1

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 2047/4885EPHX2 1772/4885GPR6 1056/4885

“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.