SCHEMBL13133728

SCHEMBL13133728

CC(C)c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4cn5ccccc5n4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
RAB9A P51151 11/20 0.57
NPC1 O15118 10/20 0.57
KDM4E B2RXH2 8/20 0.53
POLB P06746 1/20 0.53
PKM P14618 5/20 0.53
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MAPK1 P28482 3/20 0.53
GFER P55789 3/20 0.52
HPGD P15428 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL2739322 0.89 PTGS1 (0.71) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2817012 0.89 RAB9A (0.65) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133698 0.87 ALDH1A3 (0.52) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133725 0.87 RAB9A (0.61) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133723 0.87 RAB9A (0.61) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133715 0.87 RAB9A (0.61) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133721 0.86 ALDH1A3 (0.59) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133729 0.86 ALDH1A3 (0.59) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133730 0.84 RAB9A (0.57) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13133719 0.82 RAB9A (0.53) PTGS1PTGS2RAB9ANPC1KDM4E

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 PTGS1 1367/4885PTGS2 2111/4885RAB9A 1570/4885

“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.