SCHEMBL206263

SCHEMBL206263

O=C(Cl)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.71
MKNK2 Q9HBH9 8/20 0.71
CYP2A6 P11509 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
KMO O15229 1/20 0.53
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
NAMPT P43490 1/20 0.51
RAB9A P51151 1/20 0.51
DEGS1 O15121 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL27605181 0.85 MKNK1 (0.76) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL29788154 0.83 MKNK1 (1.00) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL208351 0.83 MKNK1 (1.00) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL10137211 0.82 KMO (0.58) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL205967 0.82 KMO (0.73) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL5548436 0.81 MKNK1 (0.96) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL606654 0.81 MKNK1 (1.00) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL6949381 0.81 MKNK1 (0.71) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL30855339 0.81 MKNK1 (1.00) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL24534338 0.79 CYP2A6 (0.88) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2

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 26 patents — showing the first 20. 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
EP-0931060-B1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL PROPYL AMIDES AVENTIS PHARMA INC (US) 2009-11-25 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-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
EP-0931060-A4 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES AVENTIS PHARMA INC (US) 2004-10-06 EP disclosed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO disclosed
US-6140504-A Substituted intermediate compounds for the preparation of n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-31 US disclosed
US-6080767-A Substituted n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-27 US disclosed
EP-0906094-A4 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE POULENC RORER PHARMA (US) 2000-05-17 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 EP disclosed
EP-0906094-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-04-07 EP disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 WO disclosed
WO-1997024118-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 MKNK1 2381/4885MKNK2 2145/4885CYP2A6 1764/4885

“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.