SCHEMBL4112701

SCHEMBL4112701

O=c1cc(CBr)c2cc(F)c(F)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
MPO P05164 3/20 0.39
XDH P47989 1/20 0.39
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
AR P10275 7/20 0.36
TNKS2 Q9H2K2 3/20 0.35
TNKS O95271 1/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
DAO P14920 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17509882 0.82 GPR84 (0.42) GPR84MPOXDHPDE7APDE7B
SCHEMBL4118331 0.79 TNKS2 (0.46) GPR84TNKS2KDM4EDAO
SCHEMBL8936160 0.79 GRIN2D (0.43) ARTNKS2KDM4ECYP1A2TP53
SCHEMBL17509867 0.75 AR (0.46) ARTNKS2TNKSKDM4ECYP1A2
SCHEMBL29792700 0.74 LMNA (0.47) GPR84ARCYP1A2SMN1; SMN2
SCHEMBL13326518 0.74 LMNA (0.47) GPR84ARCYP1A2SMN1; SMN2
SCHEMBL17509834 0.73 KDM4E (0.44) GPR84ARCTSVCTSLKDM4E
SCHEMBL29770446 0.73 ALDH1A1 (0.59) TNKS2KDM4ECYP1A2SMN1; SMN2
SCHEMBL4045859 0.73 ALDH1A1 (0.59) TNKS2KDM4ECYP1A2SMN1; SMN2
SCHEMBL28402937 0.72 LMNA (0.60) GPR84ARKDM4ECYP1A2TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-09-08 US disclosed
EP-2987787-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY Juntendo Educational Foundation (JP) 2016-02-24 EP disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO 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 (2 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 GPR84 3142/4885MPO 177/4885XDH 7/4885
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY SLC11A2, RELA, NFKBIA GPR84 4258/4885MPO 14/4885XDH 96/4885

“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.