Sugi Predict

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SCHEMBL10128679

SCHEMBL10128679

CC(C)(C)c1ccc2c(c1)c1ccccc1c1nnc(-c3ccc(I)cc3)n21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ PGR P06401 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ THRB P10828 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ PDE2A O00408 3/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL10128714 0.93 POLB (0.41) POLBPGRRORARORCRORB
SCHEMBL10128494 0.88 POLB (0.42) POLBPGRRORARORCRORB
SCHEMBL10128658 0.86 POLB (0.44) POLBPGRRORARORCRORB
SCHEMBL10127736 0.85 POLB (0.45) POLBPGRRORARORCRORB
SCHEMBL10127813 0.85 POLB (0.45) POLBPGRRORARORCRORB
SCHEMBL10128711 0.84 RXFP1 (0.44) POLBALDH1A1KDM4EHPGDRXFP1
SCHEMBL10128699 0.84 POLB (0.47) POLBALDH1A1KDM4EHPGDRXFP1
SCHEMBL10128683 0.84 POLB (0.47) POLBALDH1A1KDM4EHPGDRXFP1
SCHEMBL10128626 0.83 POLB (0.53) POLBALDH1A1KDM4EHPGDRXFP1
SCHEMBL10128887 0.82 POLB (0.48) POLBALDH1A1KDM4EHPGDRXFP1

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 POLB 3317/4885PGR 2658/4885RORA 1031/4885

“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.