SCHEMBL5577919

SCHEMBL5577919

Cc1c(Cl)cccc1C(=O)NCc1ccc(N2CCN(Cc3ccc(F)cc3)CC2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 5/20 0.52
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
TOP1 P11387 2/20 0.43
CCR2 P41597 1/20 0.43
ATM Q13315 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PRKAA2 P54646 1/20 0.41
TP53 P04637 1/20 0.41
CCR1 P32246 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCR5 P51681 1/20 0.40
LMNA P02545 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
SCHEMBL5577302 0.92 MT-CO2 (0.48) MT-CO2KMT2AMEN1RAB9ATOP1
SCHEMBL5577688 0.87 MT-CO2 (0.48) MT-CO2TOP1TP53CCR1CCR5
SCHEMBL5577549 0.87 LMNA (0.48) KMT2AMEN1LMNA
SCHEMBL5577911 0.86 MT-CO2 (0.45) MT-CO2KMT2ATOP1ATMPRKAA2
SCHEMBL5577671 0.84 MT-CO2 (0.43) MT-CO2KMT2AMEN1TOP1PRKAA2
SCHEMBL5577376 0.84 MAPK8 (0.43) MT-CO2KMT2AMEN1TP53CCR1
SCHEMBL5577283 0.83 MT-CO2 (0.43) MT-CO2KMT2AMEN1TOP1ATM
SCHEMBL5577554 0.83 MT-CO2 (0.55) MT-CO2KMT2AMEN1RAB9ATOP1
SCHEMBL5577684 0.82 CXCR3 (0.51) KMT2AMEN1RAB9ACCR2CCR1
SCHEMBL5577542 0.82 MT-CO2 (0.52) MT-CO2KMT2AMEN1RAB9ATOP1

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 2047/4885KMT2A 3527/4885MEN1 748/4885

“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.