Sugi Predict

Sugi Predict / Compounds / SCHEMBL10128904

SCHEMBL10128904

SCHEMBL10128904

Ic1ccc2c(c1)c1ccc(-c3ccccc3)cc1c1nnc(-c3ccccc3)n21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ TYMS P04818 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ G6PD P11413 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOA P21397 2/20 0.36
▸ PDE2A O00408 3/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL10128887 0.92 POLB (0.48) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128683 0.91 POLB (0.47) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128699 0.91 POLB (0.47) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128687 0.90 POLB (0.49) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128881 0.89 POLB (0.50) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128695 0.89 POLB (0.48) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128897 0.89 POLB (0.40) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128889 0.87 POLB (0.52) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128871 0.85 POLB (0.41) POLBTYMSKDM4EALDH1A1HPGD
SCHEMBL10128711 0.84 RXFP1 (0.44) POLBKDM4EALDH1A1HPGDMAPT

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 3317/4885TYMS 2023/4885KDM4E 2008/4885

“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.