SCHEMBL5263687

SCHEMBL5263687

c1ccc(CNc2cncc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.66
KMT2A Q03164 4/20 0.50
RAD52 P43351 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1A P35348 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 3/20 0.49
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APP P05067 3/20 0.45

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
SCHEMBL19631474 0.80 HDAC6 (1.00) HDAC6
SCHEMBL19631539 0.80 HDAC6 (0.62) HDAC6KMT2AADRA2AADRA2BADRA2C
SCHEMBL19631484 0.79 HDAC6 (0.72) HDAC6KMT2APOLBKDM4EALDH1A1
SCHEMBL13996485 0.79 ADRA2A (0.53) HDAC6KMT2AADRA2AADRA2BADRA2C
SCHEMBL30374630 0.78 KDM4E (0.68) KMT2ARAD52POLBKDM4EIDO1
SCHEMBL3543756 0.78 KDM4E (0.68) KMT2ARAD52POLBKDM4EIDO1
SCHEMBL20500500 0.75 HDAC6 (0.50) HDAC6KMT2AKDM4EALDH1A1MAPT
SCHEMBL11144235 0.73 TLR8 (0.50) HDAC6ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2791578 0.73 ADRA2A (0.80) HDAC6KMT2ARAD52ADRA2AADRA2B
SCHEMBL17131815 0.72 SMN1; SMN2 (0.60) HDAC6KMT2AADRA2CPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 WO disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 HDAC6 2740/4885KMT2A 4087/4885RAD52 3667/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 HDAC6 1870/4885KMT2A 1774/4885RAD52 2000/4885

“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.