SCHEMBL205967

SCHEMBL205967

O=C(Cl)c1cccc(-c2cccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.73
MKNK1 Q9BUB5 8/20 0.53
MKNK2 Q9HBH9 8/20 0.53
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MEN1 O00255 1/20 0.51
PSIP1 O75475 1/20 0.51
AXL P30530 1/20 0.51
CNR1 P21554 1/20 0.50
ABCB1 P08183 2/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
P4HB P07237 1/20 0.47

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
SCHEMBL10137211 0.86 KMO (0.58) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL27605046 0.86 KMO (0.77) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL28297133 0.84 KMO (1.00) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL29569537 0.84 KMO (1.00) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL206541 0.84 KMO (1.00) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL726087 0.83 KMO (0.56) KMOALDH1A1GAAERN1
SCHEMBL608617 0.83 KMO (0.73) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL4426460 0.83 KMO (0.73) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL206263 0.82 MKNK1 (0.71) KMOMKNK1MKNK2CYP2A6ALDH1A1
SCHEMBL207988 0.82 AURKA (0.50) KMOALDH1A1CNR1P4HBSIRT2

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
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

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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 KMO 985/4885MKNK1 2381/4885MKNK2 2145/4885

“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.