SCHEMBL13133733

SCHEMBL13133733

c1ccc2cc(-c3ccc(N(c4ccc(-c5cn6ccccc6n5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.45
▸ NPC1 O15118 11/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ PKM P14618 5/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ KDM4E B2RXH2 11/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ GFER P55789 3/20 0.44
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HDAC6 Q9UBN7 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
SCHEMBL13133732 0.95 RAB9A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133745 0.94 RAB9A (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133766 0.94 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133767 0.91 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133759 0.91 RAB9A (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL2813623 0.89 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133736 0.89 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133763 0.88 ALDH1A3 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133738 0.87 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13133719 0.86 RAB9A (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853403-B2 Heterocyclic compound and light-emitting element, light-emitting device, lighting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-07 — — US disclosed
US-8853403-B2 Heterocyclic compound and light-emitting element, light-emitting device, lighting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-07 — — US disclosed
US-20130130061-A1 Heterocyclic Compound and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-23 — — US disclosed
US-20130130061-A1 Heterocyclic Compound and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-23 — — US disclosed
US-8329917-B2 Heterocyclic compound and light-emitting element, light-emitting device, lighting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-11 — — US disclosed
US-8329917-B2 Heterocyclic compound and light-emitting element, light-emitting device, lighting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-11 — — US disclosed
US-20100244670-A1 Heterocyclic Compound and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 — — US disclosed
US-20100244670-A1 Heterocyclic Compound and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 — — 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 (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-20100244670-A1 Heterocyclic Compound and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using the Same CRY1, LAGE3, NR2E3 RAB9A 1570/4885NPC1 4412/4885ALDH1A1 313/4885

“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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