SCHEMBL206180

SCHEMBL206180

NC(=O)c1c(Cl)ccc(N)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
CXCR2 P25025 2/20 0.45
CXCR1 P25024 1/20 0.45
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MMP2 P08253 1/20 0.35
WEE1 P30291 1/20 0.35
PKMYT1 Q99640 1/20 0.35
THRB P10828 2/20 0.34
TSHR P16473 2/20 0.34
RECQL P46063 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL8587726 0.85 DPP4 (0.64) DPP4CXCR2CXCR1KMT2AATM
SCHEMBL30739636 0.81 DPP4 (0.39) DPP4CXCR2CXCR1CA12CA1
SCHEMBL6360290 0.78 CSNK2A2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL17368791 0.77 CCR6 (0.44) DPP4CXCR2CXCR1CA12CA1
SCHEMBL1398085 0.77 KMT2A (0.38) DPP4CA12CA1CA2CA7
SCHEMBL206143 0.75 DPP4 (0.42) DPP4CXCR2CXCR1CA12CA1
SCHEMBL10137909 0.73 ERN1 (0.39) MMP2
SCHEMBL8932344 0.73 CCNC (0.35) DPP4KMT2AATMALDH1A1TSHR
SCHEMBL5173385 0.72 CYP3A4 (0.50) DPP4CXCR2CXCR1CA1CA2
SCHEMBL145510 0.72 ALDH1A1 (0.52) KMT2AATMALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US disclosed
EP-1357909-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2009-01-07 EP disclosed
US-20060084661-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
EP-1357909-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20040132694-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-07-08 US disclosed
EP-1357909-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-11-05 EP disclosed
WO-2002067919-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 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 (3 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 DPP4 643/4885CXCR2 2282/4885CXCR1 3731/4885
US-20040132694-A1 Il-8 receptor antagonists CXCL8, CCR8, TLR8 DPP4 1319/4885CXCR2 16/4885CXCR1 14/4885
US-20060084661-A1 IL-8 receptor antagonists CXCL8, CCR8, TLR8 DPP4 1319/4885CXCR2 16/4885CXCR1 14/4885

“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.