SCHEMBL10125824

SCHEMBL10125824

c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccccc3-c3nc4ccccc4o3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.60
NPC1 O15118 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 3/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
TOP2A P11388 1/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL10126005 0.97 PTGS2 (0.63) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10125839 0.91 NPC1 (0.55) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL8849806 0.91 PTGS2 (0.67) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL3788633 0.91 PTGS2 (0.66) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10125827 0.90 ALDH1A1 (0.51) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10125899 0.90 NPC1 (0.54) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL8360992 0.89 PTGS2 (0.64) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10125822 0.88 ALDH1A1 (0.52) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10126011 0.87 PTGS2 (0.52) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10125821 0.86 KDM4E (0.53) PTGS2NPC1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 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 (1 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-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same NDUFA11, NDUFA9, NDUFA12 PTGS2 1679/4885NPC1 4763/4885MEN1 1158/4885

“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.