Sugi Predict

Sugi Predict / Compounds / SCHEMBL29547

SCHEMBL29547

SCHEMBL29547

Cc1[c]c2ccccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ KIF11 P52732 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ PSMB8 P28062 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
SCHEMBL28824470 0.98 AHR (0.35) AHRBRD4ALDH1A1HSD17B10GPR3
SCHEMBL11785225 0.75 ALDH1A1 (0.38) AHRBRD4ALDH1A1HSD17B10GPR3
SCHEMBL9900685 0.74 BRD4 (0.48) BRD4ALDH1A1HSD17B10GPR3MAPT
SCHEMBL10813818 0.73 ALDH1A1 (0.32) AHRBRD4ALDH1A1HSD17B10GPR3
SCHEMBL67229 0.73 KIF11 (0.36) AHRBRD4ALDH1A1HSD17B10GPR3
SCHEMBL4466423 0.71 ALDH1A1 (0.35) AHRALDH1A1HSD17B10GPR3MAPT
SCHEMBL1388471 0.71 ALDH1A1 (0.35) AHRALDH1A1HSD17B10GPR3MAPT
SCHEMBL1388411 0.71 ALDH1A1 (0.35) AHRALDH1A1HSD17B10GPR3MAPT
SCHEMBL7288961 0.71 ALDH1A1 (0.35) AHRALDH1A1HSD17B10GPR3MAPT
SCHEMBL7288684 0.71 ALDH1A1 (0.35) AHRALDH1A1HSD17B10GPR3MAPT

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 1939 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703734-A Diaryl methyl pyridine compound and preparation method and application thereof 重庆文理学院 2023-02-17 — — CN claimed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 — — US claimed
CN-114149396-A Chiral bicyclic gamma-butyrolactone compound and application thereof 山东第一医科大学(山东省医学科学院) 2022-03-08 — — CN claimed
CN-114085201-A Preparation method of chiral bicyclic gamma-butyrolactone compound 山东第一医科大学(山东省医学科学院) 2022-02-25 — — CN claimed
CN-107556298-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-12-21 — — CN claimed
CN-107586290-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-05-11 — — CN claimed
EP-3321262-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-13 — — EP claimed
CN-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 — — CN claimed
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 — — US claimed
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2019-05-07 — — US claimed
US-4789673-A ANTISEROTONINE AGENTS NOVARTIS AG (CH) 1988-12-06 — — US claimed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 — — US claimed
EP-0045165-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITORS CONTAINING SUCH DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1986-03-12 — — EP claimed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 — — EP claimed
US-4434174-A Treating cardiovascular diseases with N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1984-02-28 — — US claimed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 — — US claimed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 — — EP claimed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 — — EP claimed
US-4251538-A Indolealkylamines and processes for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-02-17 — — US claimed
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 AHR 36/4885BRD4 2039/4885ALDH1A1 171/4885
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT TYR, LEF1, EFNA1 AHR 74/4885BRD4 209/4885ALDH1A1 263/4885

“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.