SCHEMBL70688

SCHEMBL70688

O=C(NC(=O)c1ccccc1O)c1ccccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
GAA P10253 2/20 0.71
MPO P05164 1/20 0.71
HIF1A Q16665 1/20 0.71
NPC1 O15118 5/20 0.65
RAB9A P51151 4/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
LMNA P02545 6/20 0.63
HPGD P15428 5/20 0.63
HTT P42858 4/20 0.63
KMT2A Q03164 4/20 0.63
HSD17B10 Q99714 4/20 0.63
TP53 P04637 3/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
POLB P06746 2/20 0.59
MCOLN3 Q8TDD5 1/20 0.59

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
SCHEMBL19032011 0.89 NPC1 (0.70) KDM4ESMN1; SMN2GAAMPOHIF1A
Salicylamide SCHEMBL18591525 0.89 KDM4E (0.76) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL10904872 0.89 KDM4E (0.63) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL6994934 0.89 KDM4E (0.63) KDM4ESMN1; SMN2GAAMPOHIF1A
Salacetamide SCHEMBL25410 0.87 KDM4E (0.61) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL77381 0.85 CA1 (0.77) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL23875051 0.83 CA1 (0.58) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL16358867 0.83 CA1 (0.73) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL15372514 0.83 KMT2A (0.71) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL12829081 0.83 NPC1 (0.76) KDM4ESMN1; SMN2GAAMPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964659-B1 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LTD (IN) 2017-08-09 EP claimed
US-20160024025-A1 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LIMITED (IN) 2016-01-28 US claimed
EP-2964659-A2 PROCESS FOR THE PREPARATION OF DEFERASIROX Biocon Limited (IN) 2016-01-13 EP claimed
WO-2014136062-A2 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LIMITED (IN) 2014-09-12 WO 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
EP-2964659-B1 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LTD (IN) 2017-08-09 EP disclosed
EP-2964659-B1 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LTD (IN) 2017-08-09 EP disclosed
US-9593086-B2 Process for the preparation of deferasirox BIOCON LIMITED (IN) 2017-03-14 US disclosed
US-9593086-B2 Process for the preparation of deferasirox BIOCON LIMITED (IN) 2017-03-14 US disclosed
US-9593086-B2 Process for the preparation of deferasirox BIOCON LIMITED (IN) 2017-03-14 US disclosed
US-20160024025-A1 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LIMITED (IN) 2016-01-28 US disclosed
US-20160024025-A1 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LIMITED (IN) 2016-01-28 US disclosed
WO-2011070560-A1 PROCESSES FOR THE PREPARATION OF DEFERASIROX, AND DEFERASIROX POLYMORPHS MAPI PHARMA HK LIMITED (CN) 2011-06-16 WO disclosed
WO-2011070560-A1 PROCESSES FOR THE PREPARATION OF DEFERASIROX, AND DEFERASIROX POLYMORPHS MAPI PHARMA HK LIMITED (CN) 2011-06-16 WO disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
WO-2001030746-A1 METHOD FOR PREPARING A HYDROXYBENZONITRILE RHODIA CHIMIE (FR) 2001-05-03 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 (2 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 KDM4E 1883/4885SMN1; SMN2 3896/4885GAA 673/4885
US-20160024025-A1 PROCESS FOR THE PREPARATION OF DEFERASIROX PRPF8, SF3A2, FECH KDM4E 1093/4885SMN1; SMN2 1231/4885GAA 814/4885

“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.