SCHEMBL10126005

SCHEMBL10126005

c1ccc(-c2nc3ccccc3o2)c(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccccc4-c4nc5ccccc5o4)cc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.63
NPC1 O15118 7/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 5/20 0.49
TP53 P04637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TOP2A P11388 1/20 0.49
MAPT P10636 3/20 0.48
PKM P14618 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KDM6B O15054 1/20 0.48

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
SCHEMBL10125824 0.97 PTGS2 (0.60) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL10126011 0.89 PTGS2 (0.52) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL10125839 0.88 NPC1 (0.55) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL10126009 0.88 ALDH1A1 (0.51) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL10126019 0.87 NPC1 (0.61) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL10125827 0.87 ALDH1A1 (0.51) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL10125899 0.87 NPC1 (0.54) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL8849806 0.87 PTGS2 (0.67) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL3788633 0.86 PTGS2 (0.66) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL10125822 0.85 ALDH1A1 (0.52) PTGS2NPC1RAB9AMEN1KMT2A

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 4763/4885RAB9A 1141/4885

“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.