SCHEMBL12722086

SCHEMBL12722086

c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nc6cc(-c7ccccc7-c7ccccc7)c(-c7ccccc7-c7ccccc7)cc6nc5-c5ccc(-c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)cc4)cc3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.51
▸ NPC1 O15118 13/20 0.51
▸ SMN1; SMN2 Q16637 9/20 0.51
▸ HPGD P15428 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ATR Q13535 1/20 0.48
▸ TSHR P16473 4/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ NFKB2 Q00653 3/20 0.46
▸ RELA Q04206 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATAD2 Q6PL18 1/20 0.44

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
SCHEMBL12721924 1.00 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12722088 0.92 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12721937 0.92 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12722083 0.92 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12721915 0.92 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL10315346 0.90 ATR (0.43) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL10315100 0.90 ATR (0.43) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12721794 0.87 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12722062 0.87 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12721848 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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-7927720-B2 Quinoxaline derivative and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-04-19 — — US disclosed
US-7927720-B2 Quinoxaline derivative and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-04-19 — — US disclosed
US-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 — — US disclosed
US-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative 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-20090140641-A1 Quinoxaline Derivative and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative PDXK, PPOX, NQO1 RAB9A 2280/4885NPC1 4849/4885SMN1; SMN2 4028/4885

“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.

Send feedback