SCHEMBL2175934

SCHEMBL2175934

O=C(O)c1ccc2nc(C(=O)O)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.64
KDM4E B2RXH2 7/20 0.59
ALOX15 P16050 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
TSHR P16473 2/20 0.59
ACMSD Q8TDX5 1/20 0.59
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
P4HTM Q9NXG6 2/20 0.44
P4HA1 P13674 1/20 0.44
MIF P14174 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM5A P29375 1/20 0.42

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
SCHEMBL21997620 0.89 MGAM (0.53) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL13905425 0.87 MGAM (0.52) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL25239913 0.87 MGAM (0.52) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL841536 0.83 ALDH1A1 (0.61) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL12405037 0.82 MGAM (0.63) MGAMKDM4EALOX15TDP1TSHR
Quinaldic Acid SCHEMBL27823600 0.82 MGAM (0.96) MGAMKDM4EALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL27619882 0.82 ALDH1A1 (0.59) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL6391903 0.82 MGAM (0.67) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL9220609 0.80 MGAM (0.61) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL9756635 0.80 MGAM (0.55) MGAMKDM4EALOX15TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN claimed
CN-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN disclosed
US-9000157-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-9000157-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-9000157-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2011-07-28 US disclosed
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2011-07-28 US disclosed
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2011-07-28 US disclosed
US-7858783-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-12-28 US disclosed
US-7858783-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-12-28 US disclosed
US-7858783-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-12-28 US disclosed
US-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-10-30 US disclosed
US-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-10-30 US disclosed
US-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-10-30 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-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same ROS1, MT-CO1, RER1 MGAM 1729/4885KDM4E 3050/4885ALOX15 908/4885
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME MT-CO1, ROS1, OXA1L MGAM 1755/4885KDM4E 3090/4885ALOX15 694/4885

“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.