SCHEMBL5577911

SCHEMBL5577911

Cc1c(Cl)cccc1C(=O)NCc1ccnc(N2CCN(Cc3ccc(F)cc3)CC2C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 6/20 0.45
CXCR3 P49682 4/20 0.44
TOP1 P11387 2/20 0.42
GPR52 Q9Y2T5 2/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
PRKAA2 P54646 1/20 0.40
P2RX7 Q99572 1/20 0.39
CHRM3 P20309 1/20 0.39
CCR1 P32246 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5577674 0.89 LMNA (0.44) GPR52KMT2AP2RX7CHRM3LMNA
SCHEMBL5577302 0.87 MT-CO2 (0.48) MT-CO2TOP1KMT2ACHRM3LMNA
SCHEMBL5577435 0.87 MT-CO2 (0.49) MT-CO2TOP1GPR52KMT2AKLKB1
SCHEMBL5577919 0.86 MT-CO2 (0.52) MT-CO2TOP1KMT2AATMPRKAA2
SCHEMBL5577690 0.84 CXCR3 (0.58) CXCR3KMT2AKLKB1KLK1CCR1
SCHEMBL5577376 0.84 MAPK8 (0.43) MT-CO2CXCR3KMT2AP2RX7CCR1
SCHEMBL5577608 0.84 MT-CO2 (0.45) MT-CO2CXCR3TOP1GPR52KMT2A
SCHEMBL5577406 0.84 MT-CO2 (0.47) MT-CO2TOP1KLKB1KLK1PRKAA2
SCHEMBL5577582 0.83 MT-CO2 (0.47) MT-CO2TOP1KMT2APRKAA2CHRM3
SCHEMBL5577671 0.82 MT-CO2 (0.43) MT-CO2CXCR3TOP1KMT2APRKAA2

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 2047/4885CXCR3 32/4885TOP1 2075/4885

“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.