SCHEMBL61277

SCHEMBL61277

O=c1nc(-c2ccccc2O)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
TOP2A P11388 2/20 0.54
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 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
SCHEMBL29440787 1.00 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1TOP2AMAPT
SCHEMBL29440785 1.00 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1TOP2AMAPT
SCHEMBL5842306 0.89 KDM4E (0.57) AKR1C3AKR1C2AKR1C1TOP2AMAPT
SCHEMBL3679916 0.88 NPC1 (0.53) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL313075 0.86 KDM4E (0.58) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL16203168 0.84 KDM6B (0.67) AKR1C3AKR1C2AKR1C1MAPTKDM4E
SCHEMBL6469733 0.84 MAOA (0.49) AKR1C3AKR1C2AKR1C1TOP2AMAPT
SCHEMBL6469479 0.84 MAOA (0.59) AKR1C3AKR1C2AKR1C1TOP2AMAPT
SCHEMBL5842491 0.84 MAOA (0.51) AKR1C3AKR1C2AKR1C1TOP2AMAPT
SCHEMBL2882726 0.82 NPC1 (0.58) MAPTKDM4ENPC1RAB9AGAA

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 182 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085194-B Preparation method of 2- (2-hydroxyphenyl) -4H- [1,3] -benzoxazine-4-one 青岛科技大学 2023-07-18 CN claimed
CN-115057827-B Deferasirox derivative, synthesis method thereof and application thereof in preparation of iron overload hepatocellular carcinoma diagnosis and treatment drugs 河南大学 2023-06-30 CN claimed
CN-115057827-A Deferasirox derivative, synthesis method thereof and application thereof in preparation of medicines for diagnosing and treating iron-overload hepatocellular carcinoma 河南大学 2022-09-16 CN claimed
CN-114085194-A Preparation method of 2- (2-hydroxyphenyl) -4H- [1,3] -benzoxazine-4-one 青岛科技大学 2022-02-25 CN claimed
US-11078167-B2 Process for the preparation of Deferasirox AUROBINDO PHARMA LTD (IN) 2021-08-03 US claimed
US-20200207725-A1 A process for the preparation of Deferasirox AUROBINDO PHARMA LTD. (IN) 2020-07-02 US claimed
WO-2019016637-A1 A PROCESS FOR THE PREPARATION OF DEFERASIROX AUROBINDO PHARMA LIMITED (IN) 2019-01-24 WO claimed
WO-2016203488-A1 PREPARATION OF NOVEL DEFERASIROX ANALOGUES FOR ANTIMALARIAL ACTIVITY HAVALDAR FREDDY H (IN) 2016-12-22 WO claimed
CN-103554040-B A kind of preparation method of deferasirox derivative NANJING JINGLONG DRUG RESEARCH AND DEVELOPMENT CO., LTD. (CN) 2015-12-02 CN claimed
EP-2632907-B1 PROCESS FOR PREPARING 2-(2-HYDROXYPHENYL)-BENZ[1,3]OXAZIN-4-ONE AND ITS USE FOR PREPARING DEFERASIROX DAVULURI RAMAMOHAN RAO (IN) 2015-10-14 EP claimed
WO-2012131017-A1 PROCESS FOR THE PRODUCTION OF DEFERASIROX ERREGIERRE S.P.A. (IT) 2012-10-04 WO claimed
US-8129421-B2 Method for preparing 4-[3,5-bis(2-hydroxyphenyl)-[1,2,4]triazol-1-yl]-benzoic acid Farmak, A S (CZ) 2012-03-06 US claimed
WO-2012025935-A2 A PROCESS FOR THE PREPARATION OF 2-(2-HYDROXYPHENYL)-BENZ[1,3]OXAZIN-4-ONE AND ITS USE FOR PREPARATION OF 4-[3, 5-BIS (2-HYDROXYPHENYL)-1H-1, 2, 4-TRIAZOL-1-YL] BENZOIC ACID DAVULURI RAMAMOHAN RAO (IN) 2012-03-01 WO claimed
US-20110097413-A1 SOLID STATE FORMS OF DEFERASIROX SALTS AND PROCESS FOR THE PREPARATION THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-04-28 US claimed
EP-2291360-A2 SOLID STATE FORMS OF DEFERASIROX SALTS AND PROCESS FOR THE PREPARATION THEREOF Actavis Group PTC ehf. (IS) 2011-03-09 EP claimed
WO-2011021218-A2 PROCESS FOR THE PREPARATION OF 4-[3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL]-BENZOIC ACID AND ITS AMINE SALTS MSN LABORATORIES LIMITED (IN) 2011-02-24 WO claimed
US-20110034702-A1 METHOD FOR PREPARING 4-[3,5-BIS(2-HYDROXYPHENYL)-[1,2,4]TRIAZOL-1-YL]-BENZOIC ACID FARMAK, A.S. (CZ) 2011-02-10 US claimed
WO-2010023685-A2 CRYSTALLINE FORM OF 2-(2-HYDROXY PHENYL)BENZ[E][1,3]OXAZIN-4-ONE, PROCESS FOR THE SAME AND USE FOR PRODUCING 4-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID MATRIX LABORATORIES LIMITED (IN) 2010-03-04 WO claimed
WO-2009130604-A2 SOLID STATE FORMS OF DEFERASIROX SALTS AND PROCESS FOR THE PREPARATION THEREOF ACTAVIS GROUP PTC EHF (IS) 2009-10-29 WO claimed
WO-2009094956-A1 A METHOD FOR PREPARING 4-[3,5-BIS(2-HYDROXYPHENYL)-[1,2,4]TRIAZOL-1-YL]-BENZOIC ACID FARMAK, A.S. (CZ) 2009-08-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110034702-A1 METHOD FOR PREPARING 4-[3,5-BIS(2-HYDROXYPHENYL)-[1,2,4]TRIAZOL-1-YL]-BENZOIC ACID HAO2, HPD, HAO1 AKR1C3 522/4885AKR1C2 399/4885AKR1C1 318/4885
US-20110097413-A1 SOLID STATE FORMS OF DEFERASIROX SALTS AND PROCESS FOR THE PREPARATION THEREOF SF3A2, HAMP, SRSF2 AKR1C3 1426/4885AKR1C2 1527/4885AKR1C1 1596/4885
US-11078167-B2 Process for the preparation of Deferasirox HAMP, F5, CYP4F11 AKR1C3 766/4885AKR1C2 626/4885AKR1C1 620/4885
US-20200207725-A1 A process for the preparation of Deferasirox HAMP, CYP4F11, F5 AKR1C3 949/4885AKR1C2 749/4885AKR1C1 735/4885

“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.