SCHEMBL5577599

SCHEMBL5577599

Cc1c(Cl)cccc1C(=O)NCc1cccnc1N1CCCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
EPHX2 P34913 2/20 0.45
MT-CO2 P00403 2/20 0.44
PIK3CD O00329 2/20 0.44
GPR6 P46095 1/20 0.44
TP53 P04637 1/20 0.43
MAPK8 P45983 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SCN2A Q99250 2/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 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
SCHEMBL5577752 0.97 MT-CO2 (0.47) EPHX2MT-CO2GPR6TP53MAPK8
SCHEMBL5577253 0.88 P2RX7 (0.44) P2RX7EPHX2PIK3CDTP53LMNA
SCHEMBL5577826 0.86 MT-CO2 (0.49) MT-CO2KDM4EMAPT
SCHEMBL5577874 0.85 MT-CO2 (0.44) MT-CO2PIK3CDGPR6TP53KDM4E
SCHEMBL5577376 0.84 MAPK8 (0.43) P2RX7MT-CO2TP53MAPK8
SCHEMBL5577589 0.84 MT-CO2 (0.43) P2RX7EPHX2MT-CO2TP53MAPK8
SCHEMBL5577621 0.84 LMNA (0.47) EPHX2TP53LMNAALDH1A1KDM4E
SCHEMBL5577844 0.84 SCN10A (0.56) EPHX2SCN2ASCN10AKDM4E
SCHEMBL5577531 0.84 MT-CO2 (0.54) MT-CO2TP53LMNAKDM4EMAPT
SCHEMBL5577406 0.84 MT-CO2 (0.47) MT-CO2PIK3CDKDM4EMAPT

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 P2RX7 1272/4885EPHX2 1772/4885MT-CO2 2047/4885

“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.