SCHEMBL2644044

SCHEMBL2644044

O=C1c2ccccc2C(=O)N1Cc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.87
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62
UBE2N P61088 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA9 Q16790 2/20 0.60
CA2 P00918 1/20 0.60
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
RPS6KA2 Q15349 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57

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
SCHEMBL4424799 0.95 CASP3 (0.79) CASP3CYP1A2CYP2C19LMNAHPGD
SCHEMBL13442861 0.93 CASP3 (1.00) CASP3CYP1A2CYP2C19LMNAHPGD
SCHEMBL28737144 0.84 UBE2N (0.81) CASP3CYP1A2CYP2C19LMNAHPGD
SCHEMBL11167209 0.84 CASP3 (0.67) CASP3HPGDADRA1DADRA1AADRA1B
SCHEMBL326305 0.84 CASP3 (0.85) CASP3LMNAHPGDADRA1DADRA1A
SCHEMBL30472950 0.84 CASP3 (0.85) CASP3LMNAHPGDADRA1DADRA1A
SCHEMBL2643289 0.83 CASP3 (0.63) CASP3CYP1A2CYP2C19LMNAHPGD
SCHEMBL18669018 0.83 CASP3 (0.63) CASP3CYP1A2CYP2C19HPGDUBE2N
SCHEMBL8737445 0.82 CASP3 (0.65) CASP3HPGDADRA1DADRA1AADRA1B
SCHEMBL18668950 0.82 CES2 (0.67) CASP3ADRA1DADRA1AADRA1BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 US disclosed
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 US disclosed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US disclosed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US disclosed
WO-2017137984-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-08-17 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
CN-106432047-A Synthesis method of astemizole drug intermediate N-(4-fluorobenzyl)phthalimide 厦门市凯尔利信息科技有限公司 2017-02-22 CN disclosed
CN-106432047-A Synthesis method of astemizole drug intermediate N-(4-fluorobenzyl)phthalimide 厦门市凯尔利信息科技有限公司 2017-02-22 CN disclosed
CN-106008229-A Synthesis method of astemizole drug intermediate p-fluorobenzylamine 成都切斯特科技有限公司 2016-10-12 CN disclosed
CN-105523989-A Synthetic method of astemizole drug intermediate N-(4-fluorobenzyl)phthalimide CHENGDU QIESITE TECH CO LTD 2016-04-27 CN disclosed
CN-105523989-A Synthetic method of astemizole drug intermediate N-(4-fluorobenzyl)phthalimide CHENGDU QIESITE TECH CO LTD 2016-04-27 CN disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
EP-1960385-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP disclosed
WO-2007053503-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
EP-1419126-B1 FLUOROUS NUCLEOPHILIC SUBSTITUTION OF ALCOHOLS AND REAGENTS FOR USE THEREIN UNIV PITTSBURGH (US) 2006-11-02 EP disclosed
US-6806357-B1 REACTING THE ALCOHOL AND A NUCLEOPHILE WITH AN AZODICARBOXYLATE AND A PHOSPHINE. AT LEAST ONE OF THE AZODICARBOXYLATE AND THE PHOSPHINE INCLUDES AT LEAST ONE FLUOROUS TAG UNIVERSITY OF PITTSBURGH 2004-10-19 US disclosed
EP-1419126-A1 FLUOROUS NUCLEOPHILIC SUBSTITUTION OF ALCOHOLS AND REAGENTS FOR USE THEREIN UNIVERSITY OF PITTSBURGH (US) 2004-05-19 EP disclosed
WO-2003016246-A1 FLUOROUS NUCLEOPHILIC SUBSTITUTION OF ALCOHOLS AND REAGENTS FOR USE THEREIN UNIVERSITY OF PITTSBURGH (US) 2003-02-27 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-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC CASP3 2636/4885CYP1A2 2604/4885CYP2C19 2590/4885
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 CASP3 4136/4885CYP1A2 876/4885CYP2C19 1213/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 CASP3 2530/4885CYP1A2 3168/4885CYP2C19 2957/4885

“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.