Sugi Predict

Sugi Predict / Compounds / SCHEMBL10128239

SCHEMBL10128239

SCHEMBL10128239

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nnc3c4ccccc4ccn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KCNH2 Q12809 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ OPRD1 P41143 4/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL10128263 0.94 ALDH1A1 (0.40) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL10155413 0.92 ALDH1A1 (0.35) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL10148971 0.92 MAPT (0.36) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL10128221 0.88 ALDH1A1 (0.41) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL10128220 0.86 ALDH1A1 (0.40) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL10128268 0.86 ALDH1A1 (0.42) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL10128242 0.85 HSD11B1 (0.38) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL10128252 0.85 HSD11B1 (0.38) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL516234 0.85 KDM4E (0.41) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL10128251 0.84 TUBB4A (0.37) MAPTALDH1A1KMT2AHSD11B1OPRD1

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-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

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 MAPT 1271/4885ALDH1A1 1032/4885KMT2A 1074/4885

“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.