SCHEMBL956372

SCHEMBL956372

Oc1cc(COc2c(F)cccc2F)nc2cc(-c3ccco3)nn12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FUBP1 Q96AE4 1/20 0.39
ABCB1 P08183 6/20 0.38
FYN P06241 1/20 0.38
MET P08581 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 1/20 0.36
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL957323 0.93 FFAR1 (0.39) FUBP1ABCB1FYNMETABCG2
SCHEMBL956154 0.89 FFAR1 (0.40) FUBP1ABCB1FYNMETABCG2
SCHEMBL956593 0.88 DPP4 (0.41) FUBP1ABCB1FYNMETABCG2
SCHEMBL956506 0.84 ABCB1 (0.44) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL956808 0.83 DPP4 (0.42) FUBP1ABCB1FYNMETABCG2
SCHEMBL957284 0.83 DPP4 (0.41) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL30515692 0.81 CXCR2 (0.49) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL954898 0.81 CXCR2 (0.49) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL959357 0.80 DPP4 (0.41) FUBP1ABCB1METABCG2ALDH1A1
SCHEMBL3343769 0.79 CXCR2 (0.56) ALDH1A1KDM4EPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP claimed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO claimed
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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 (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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 FUBP1 2541/4885ABCB1 649/4885FYN 337/4885

“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.