Sugi Predict

Sugi Predict / Compounds / SCHEMBL3336091

SCHEMBL3336091

SCHEMBL3336091

O=[N+]([O-])c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.80
▸ SMN1; SMN2 Q16637 4/20 0.80
▸ MAPT P10636 3/20 0.80
▸ HTT P42858 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ L3MBTL1 Q9Y468 1/20 0.80
▸ MMP13 P45452 3/20 0.72
▸ MMP2 P08253 3/20 0.72
▸ MMP9 P14780 3/20 0.72
▸ MMP8 P22894 3/20 0.72
▸ GUSB P08236 1/20 0.70
▸ NPC1 O15118 7/20 0.68
▸ NPBWR1 P48145 6/20 0.68
▸ F7 P08709 1/20 0.61
▸ CASP3 P42574 1/20 0.59
▸ SENP8 Q96LD8 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ SENP6 Q9GZR1 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.58

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
SCHEMBL28761269 0.89 RAB9A (0.80) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL28761270 0.89 RAB9A (1.00) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL31357765 0.89 RAB9A (1.00) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL21772069 0.88 MMP2 (0.76) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL31357888 0.84 RAB9A (0.81) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL31154212 0.84 MAPT (0.68) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL5010434 0.84 MMP2 (1.00) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL8346603 0.83 MAPT (0.66) RAB9ASMN1; SMN2MAPTHTTMEN1
Hydrochloric Acid SCHEMBL7272308 0.83 MAPT (0.67) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL873782 0.82 GUSB (1.00) RAB9ASMN1; SMN2MAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403128-B2 Compositions and methods for blocking sodium channels Univerity of Virginia Patent Foundation (US) 2025-09-02 — — US disclosed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 — — WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 — — WO disclosed
CN-115028588-B Green synthesis method of heterocyclic compound 徐州医科大学 2023-08-11 — — CN disclosed
CN-112438977-B Myricetin derivative containing benzimidazole, preparation method and application 贵州大学 2023-05-19 — — CN disclosed
CN-112194654-B Benzimidazole-containing myricetin derivative, preparation method and application 贵州大学 2022-11-08 — — CN disclosed
CN-115028588-A Green synthesis method of heterocyclic compound 徐州医科大学 2022-09-09 — — CN disclosed
WO-2022057930-A1 BENZIMIDAZOLE COMPOUND HAVING ENDOTHELIAL LIPASE INHIBITION EFFECT, AND APPLICATION 盐城师范学院 2022-03-24 — — WO disclosed
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS UNIVERSITY OF VIRGINIA 2022-02-17 — — US disclosed
CN-109096205-B Synthesis method of benzimidazole compound 五邑大学 2021-08-10 — — CN disclosed
CN-112438977-A Benzimidazolium-containing myricetin derivative, preparation method and application 贵州大学 2021-03-05 — — CN disclosed
CN-112194654-A Benzimidazolium-containing myricetin derivative, preparation method and application 贵州大学 2021-01-08 — — CN disclosed
CN-105085406-B Benzimidazole ring-containing propiolamide derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-11-03 — — CN disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 — — US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 — — US disclosed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 — — US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 — — US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 — — EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 — — WO 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 (4 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 RAB9A 4162/4885SMN1; SMN2 4475/4885MAPT 4865/4885
US-12403128-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B RAB9A 2068/4885SMN1; SMN2 228/4885MAPT 183/4885
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS SCN3A, SCN1B, SCN2B RAB9A 2068/4885SMN1; SMN2 228/4885MAPT 183/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 RAB9A 687/4885SMN1; SMN2 1895/4885MAPT 685/4885

“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.