SCHEMBL2179646

SCHEMBL2179646

Cc1cc2nc(C(=O)O)c(C)cc2nc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 5/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMO O15229 1/20 0.40
NQO2 P16083 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
BCAT2 O15382 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
LMNA P02545 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL12405041 0.86 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL31518690 0.85 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL12405050 0.84 SORT1 (0.38) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL8809531 0.80 POLB (0.40) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL2329568 0.80 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL18795120 0.80 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL9088701 0.79 KDM4E (0.40) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL28911160 0.77 GRIN2D (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1KMO
SCHEMBL11655924 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8806635 0.76 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4ETSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 121/4885MAPT 2747/4885SMN1; SMN2 1962/4885
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME MT-CO1, ROS1, OXA1L ALDH1A1 80/4885MAPT 2717/4885SMN1; SMN2 2190/4885

“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.