SCHEMBL5577697

SCHEMBL5577697

Cc1c(Cl)cccc1C(=O)NCc1scnc1N1CCN(Cc2ccc(F)cc2)C(C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 3/20 0.43
P2RX7 Q99572 7/20 0.40
KIT P10721 1/20 0.39
CXCR3 P49682 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CHRM1 P11229 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
CCR1 P32246 1/20 0.36
ATM Q13315 1/20 0.36
TOP1 P11387 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5577614 0.89 LMNA (0.40) TP53
SCHEMBL5577558 0.87 MT-CO2 (0.47) MT-CO2CXCR3TP53
SCHEMBL5577589 0.86 MT-CO2 (0.43) MT-CO2P2RX7TRPV1CHRM1KMT2A
SCHEMBL5577304 0.84 CXCR3 (0.46) KITCXCR3CCR1
SCHEMBL5577542 0.84 MT-CO2 (0.52) MT-CO2KMT2AMEN1RAB9ACCR1
SCHEMBL5577671 0.84 MT-CO2 (0.43) MT-CO2P2RX7CXCR3KMT2AMEN1
SCHEMBL5577874 0.84 MT-CO2 (0.44) MT-CO2CXCR3TP53
SCHEMBL5577503 0.83 MT-CO2 (0.43) MT-CO2P2RX7KITKMT2AMEN1
SCHEMBL5577608 0.82 MT-CO2 (0.45) MT-CO2CXCR3KMT2AMEN1RAB9A
SCHEMBL5577489 0.82 MT-CO2 (0.48) MT-CO2P2RX7KMT2AMEN1RAB9A

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 2047/4885P2RX7 1272/4885KIT 457/4885

“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.