SCHEMBL954712

SCHEMBL954712

O=[N+]([O-])c1ccccc1OCc1cc(O)n2nc(-c3ccco3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.39
ABCB1 P08183 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
RECQL P46063 1/20 0.37
MET P08581 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 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
SCHEMBL959357 0.84 DPP4 (0.41) POLBMAPTALDH1A1ABCB1ABCG2
SCHEMBL956506 0.81 ABCB1 (0.44) ALDH1A1ABCB1ABCG2METSMN1; SMN2
SCHEMBL956154 0.80 FFAR1 (0.40) POLBALDH1A1ABCB1ABCG2L3MBTL1
SCHEMBL955471 0.80 DPP4 (0.38) POLBALDH1A1ABCB1ABCG2RAB9A
SCHEMBL959924 0.77 ABCB1 (0.35) ABCB1ABCG2METFUBP1ADORA2A
SCHEMBL956372 0.77 FUBP1 (0.39) POLBALDH1A1ABCB1ABCG2L3MBTL1
SCHEMBL956593 0.77 DPP4 (0.41) POLBALDH1A1ABCB1ABCG2TDP1
SCHEMBL957323 0.76 FFAR1 (0.39) POLBALDH1A1TP53ABCB1ABCG2
SCHEMBL959394 0.74 ABCB1 (0.44) ALDH1A1ABCB1ABCG2L3MBTL1MET
SCHEMBL956808 0.73 DPP4 (0.42) POLBMAPTALDH1A1ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US 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

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 POLB 3923/4885MAPT 4866/4885ALDH1A1 1082/4885

“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.