Sugi Predict

Sugi Predict / Compounds / SCHEMBL2382803

SCHEMBL2382803

SCHEMBL2382803

Cn1c(-c2ccccc2)cc2cc(Br)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.66
▸ CYP19A1 P11511 2/20 0.57
▸ MCL1 Q07820 1/20 0.53
▸ HPGD P15428 3/20 0.46
▸ SLC2A1 P11166 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ APP P05067 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GRIK1 P39086 1/20 0.40
▸ GRIK2 Q13002 1/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CDK5 Q00535 1/20 0.39

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
SCHEMBL29933368 0.84 CYP2A6 (0.52) KMT2ACYP19A1MCL1HPGDALDH1A1
SCHEMBL11662919 0.81 KMT2A (0.68) KMT2ACYP19A1HPGDSLC2A1ALDH1A1
SCHEMBL8591982 0.81 KMT2A (0.73) KMT2ACYP19A1MCL1HPGDALDH1A1
SCHEMBL214075 0.80 KMT2A (1.00) KMT2ACYP19A1MCL1HPGDALDH1A1
SCHEMBL29581156 0.80 KMT2A (1.00) KMT2ACYP19A1MCL1HPGDALDH1A1
SCHEMBL11688437 0.79 KMT2A (0.66) KMT2ACYP19A1HPGDSLC2A1ALDH1A1
SCHEMBL8942357 0.79 KMT2A (0.66) KMT2ACYP19A1HPGDSLC2A1ALDH1A1
SCHEMBL19066059 0.79 KMT2A (0.66) KMT2ACYP19A1HPGDSLC2A1ALDH1A1
SCHEMBL2421377 0.79 KMT2A (0.66) KMT2ACYP19A1HPGDSLC2A1ALDH1A1
SCHEMBL14643875 0.78 HAO1 (0.43) KMT2ACYP19A1MCL1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997329-B Polysubstituted 3- (3-benzo [ b ] selenophenyl) -1H-2-aryl indole and derivative and synthesis method thereof 湘潭大学 2021-06-04 — — CN claimed
CN-109467559-B Fused bisindole derivatives and process for producing the same 苏州大学 2020-02-11 — — CN claimed
CN-109467559-A Condensed bisindole derivatives and preparation method thereof 苏州大学 2019-03-15 — — CN claimed
CN-109400518-A Polysubstituted 6- aryl benzo [a] carbazole and derivative and its synthetic method 湘潭大学 2019-03-01 — — CN claimed
CN-108997329-A Polysubstituted 3-(3- benzo [b] selenophen base) -1H-2- (hetero) aryl indole and derivative and its synthetic method 湘潭大学 2018-12-14 — — CN claimed
CN-108997329-B Polysubstituted 3- (3-benzo [ b ] selenophenyl) -1H-2-aryl indole and derivative and synthesis method thereof 湘潭大学 2021-06-04 — — CN disclosed
CN-109535061-B 3-nitrosoindole derivative and preparation method thereof 苏州大学 2020-07-14 — — CN disclosed
CN-109467559-B Fused bisindole derivatives and process for producing the same 苏州大学 2020-02-11 — — CN disclosed
CN-109535061-A A kind of 3- nitroso-indol derivative and preparation method thereof 苏州大学 2019-03-29 — — CN disclosed
CN-109467559-A Condensed bisindole derivatives and preparation method thereof 苏州大学 2019-03-15 — — CN disclosed
CN-109400518-A Polysubstituted 6- aryl benzo [a] carbazole and derivative and its synthetic method 湘潭大学 2019-03-01 — — CN disclosed
CN-108997329-A Polysubstituted 3-(3- benzo [b] selenophen base) -1H-2- (hetero) aryl indole and derivative and its synthetic method 湘潭大学 2018-12-14 — — CN disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 — — US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 — — US disclosed
WO-2010051206-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 — — WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — US disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 — — WO disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 — — 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 (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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 KMT2A 2171/4885CYP19A1 1814/4885MCL1 3195/4885
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 KMT2A 2171/4885CYP19A1 1814/4885MCL1 3195/4885

“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.