SCHEMBL5577589

SCHEMBL5577589

Cc1c(Cl)cccc1C(=O)NCc1cccnc1N1CCN(Cc2ccc(F)cc2)C(C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 2/20 0.43
TP53 P04637 1/20 0.42
MAPK8 P45983 1/20 0.42
TRPV1 Q8NER1 2/20 0.40
CHRM1 P11229 1/20 0.39
NR3C1 P04150 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
P2RX7 Q99572 4/20 0.38
HSD11B1 P28845 1/20 0.38
DCTPP1 Q9H773 2/20 0.38
KLKB1 P03952 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL5577387 0.88 LMNA (0.43) TP53MAPK8KMT2AHSD11B1
SCHEMBL5577489 0.87 MT-CO2 (0.48) MT-CO2TP53NR3C1KMT2AMEN1
SCHEMBL5577752 0.87 MT-CO2 (0.47) MT-CO2TP53MAPK8NR3C1KMT2A
SCHEMBL5577697 0.86 MT-CO2 (0.43) MT-CO2TP53TRPV1CHRM1KMT2A
SCHEMBL5577584 0.85 SCN10A (0.47) TP53
SCHEMBL5577542 0.84 MT-CO2 (0.52) MT-CO2TP53KMT2AMEN1
SCHEMBL5577608 0.84 MT-CO2 (0.45) MT-CO2KMT2AMEN1DCTPP1KLKB1
SCHEMBL5577376 0.84 MAPK8 (0.43) MT-CO2TP53MAPK8NR3C1KMT2A
SCHEMBL5577599 0.84 P2RX7 (0.46) MT-CO2TP53MAPK8P2RX7EPHX2
SCHEMBL5577630 0.82 MT-CO2 (0.48) MT-CO2CHRM1KMT2AMEN1KLKB1

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.