SCHEMBL10128486

SCHEMBL10128486

CCCCc1ccc2c(c1)c1ccccc1c1nnc(-c3ccc(Br)cc3)n21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.46
RORA P35398 3/20 0.44
RORC P51449 3/20 0.44
RORB Q92753 3/20 0.44
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PGR P06401 3/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
UCHL3 P15374 1/20 0.35

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
SCHEMBL10128484 0.93 POLB (0.42) HSD11B1RORARORCRORBPOLB
SCHEMBL10128672 0.89 HSD11B1 (0.46) HSD11B1RORARORCRORBPOLB
SCHEMBL10128481 0.89 POLB (0.44) RORARORCRORBPOLBNPC1
SCHEMBL10127803 0.86 HSD11B1 (0.44) HSD11B1RORARORCRORBPOLB
SCHEMBL10127733 0.86 HSD11B1 (0.44) HSD11B1RORARORCRORBPOLB
SCHEMBL10128497 0.83 POLB (0.42) POLBNPC1RAB9AMAPTTP53
SCHEMBL10128667 0.82 POLB (0.42) HSD11B1RORARORCRORBPOLB
SCHEMBL10128482 0.81 POLB (0.44) RORARORCRORBPOLBNPC1
SCHEMBL10127630 0.81 HSD11B1 (0.39) HSD11B1RORARORCRORBPOLB
SCHEMBL10127436 0.81 HSD11B1 (0.39) HSD11B1RORARORCRORBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 HSD11B1 3797/4885RORA 1031/4885RORC 1049/4885

“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.