SCHEMBL5577302

SCHEMBL5577302

Cc1c(Cl)cccc1C(=O)NCc1cccc(N2CCN(Cc3ccc(F)cc3)CC2C)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 7/20 0.48
TOP1 P11387 2/20 0.45
CHRM3 P20309 2/20 0.43
CCR2 P41597 1/20 0.43
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
CCR5 P51681 1/20 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
SCHEMBL5577919 0.92 MT-CO2 (0.52) MT-CO2TOP1CCR2MEN1RAB9A
SCHEMBL5577568 0.88 LMNA (0.49) CHRM3MEN1KMT2AMAPTLMNA
SCHEMBL5577911 0.87 MT-CO2 (0.45) MT-CO2TOP1CHRM3KMT2ALMNA
SCHEMBL5578697 0.85 CXCR3 (0.52) CHRM3CCR2MEN1KMT2ALMNA
SCHEMBL5577688 0.85 MT-CO2 (0.48) MT-CO2TOP1LMNACCR5
SCHEMBL5577630 0.83 MT-CO2 (0.48) MT-CO2TOP1CHRM3MEN1RAB9A
SCHEMBL5577762 0.83 MT-CO2 (0.49) MT-CO2TOP1CHRM3MAPTACKR3
SCHEMBL5577671 0.82 MT-CO2 (0.43) MT-CO2TOP1MEN1KMT2ALMNA
SCHEMBL5577376 0.82 MAPK8 (0.43) MT-CO2MEN1KMT2A
SCHEMBL5577901 0.82 MT-CO2 (0.50) MT-CO2TOP1CHRM3MEN1RAB9A

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 2047/4885TOP1 2075/4885CHRM3 2099/4885

“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.