SCHEMBL2083783

SCHEMBL2083783

Cc1ccc(-c2cccnc2C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.44
SYK P43405 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TRPV1 Q8NER1 1/20 0.38
FGF23 Q9GZV9 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
DHODH Q02127 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL27951853 0.84 POLB (0.37) MKNK1MKNK2CYP2A6SMN1; SMN2ALDH1A1
SCHEMBL2083077 0.83 ALDH1A1 (0.42) CYP2A6ALDH1A1LMNAMAPTHTT
SCHEMBL10119498 0.82 TDP1 (0.47) TNKS2KDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL30069637 0.82 NFE2L2 (0.42) MKNK1MKNK2MAPTNPC1RAB9A
SCHEMBL28753109 0.82 ABL1 (0.40) MKNK1MKNK2KDM4EL3MBTL1TDP1
SCHEMBL24742077 0.82 NFE2L2 (0.42) MKNK1MKNK2MAPTNPC1RAB9A
SCHEMBL28335272 0.82 TRIM24 (0.43) MKNK1MKNK2TRPV1KDM4ESMN1; SMN2
SCHEMBL10119345 0.81 MAP4K4 (0.42) SYKCYP2A6SMN1; SMN2ALDH1A1MAPT
SCHEMBL14484609 0.81 CLK4 (0.51) SYKTNKS2CYP2A6KDM4EALDH1A1
SCHEMBL8512088 0.80 S100A4 (0.45) CYP2A6KDM4ESMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121184-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
CN-112852770-B Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction 中国科学院天津工业生物技术研究所 2022-01-07 CN disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
CN-112852770-A Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction 中国科学院天津工业生物技术研究所 2021-05-28 CN disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 COMT 4083/4885SYK 2452/4885MKNK1 2505/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 COMT 4283/4885SYK 1352/4885MKNK1 2514/4885

“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.