SCHEMBL10315104

SCHEMBL10315104

c1ccc(-c2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)nc4cc3-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 15/20 0.45
▸ RAB9A P51151 15/20 0.45
▸ SMN1; SMN2 Q16637 10/20 0.45
▸ HPGD P15428 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL10315335 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315096 0.99 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315332 0.99 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315105 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315341 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315112 0.93 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315353 0.93 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315100 0.92 ATR (0.43) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10315346 0.92 ATR (0.43) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL12721937 0.90 NPC1 (0.55) NPC1RAB9ASMN1; 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-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 — — US disclosed
US-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 — — US disclosed
US-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-18 — — US disclosed
US-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-18 — — 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-20090153041-A1 Quinoxaline Derivative, and Light Emitting Element, Light Emitting Device and Electronic Appliance Using the Same SLC1A2, SLC18A2, SLC18A3 NPC1 3369/4885RAB9A 979/4885SMN1; SMN2 4124/4885

“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.

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