SCHEMBL833508

SCHEMBL833508

Nc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
TDP1 Q9NUW8 2/20 0.77
MAPT P10636 7/20 0.50
POLB P06746 4/20 0.50
NPC1 O15118 2/20 0.50
CASP3 P42574 2/20 0.50
RAB9A P51151 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
NPBWR1 P48145 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAOB P27338 1/20 0.49
NOS1 P29475 1/20 0.49
GRIA1 P42261 1/20 0.49

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
SCHEMBL30642229 0.87 ALDH1A1 (1.00) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL833509 0.87 ALDH1A1 (1.00) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL27567547 0.83 ALDH1A1 (0.56) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL16066049 0.81 ALDH1A1 (0.52) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL4328210 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL2711226 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL18758065 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL1541188 0.80 ALDH1A1 (0.56) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL8260455 0.80 ALDH1A1 (0.56) ALDH1A1TDP1MAPTPOLBNPC1
SCHEMBL31536798 0.80 ALDH1A1 (0.56) ALDH1A1TDP1MAPTPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120082889-A Alkaline microetching solution and preparation method and microetching method thereof 深圳市板明科技股份有限公司 2025-06-03 CN claimed
CN-119606958-A Composition containing pyruvate and preparation method and application thereof 江苏长泰药业股份有限公司 2025-03-14 CN claimed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US claimed
CN-105384693-B Compound, its synthetic method and the purposes of the structure of bisazo containing benzoxazole ring 盐城工学院 2018-11-09 CN claimed
CN-105384693-A Compound containing benzoxazole ring bis(azo) structure, synthetic method for compound and use of compound YANCHENG INST TECHNOLOGY 2016-03-09 CN claimed
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 EP claimed
CN-103765212-A Methods and compositions for treating cancer and autoimmune diseases JACKSON LAB 2014-04-30 CN claimed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US claimed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 WO claimed
CN-120082889-A Alkaline microetching solution and preparation method and microetching method thereof 深圳市板明科技股份有限公司 2025-06-03 CN disclosed
CN-119606958-B Composition containing pyruvate and preparation method and application thereof 江苏长泰药业股份有限公司 2025-05-13 CN disclosed
CN-117126578-B Organosilicon polymer/POSS hybrid antifouling coating grafted with antibacterial molecules and preparation method thereof 中国科学院海洋研究所 2025-04-22 CN disclosed
CN-119606958-A Composition containing pyruvate and preparation method and application thereof 江苏长泰药业股份有限公司 2025-03-14 CN disclosed
CN-117126578-A Organosilicon polymer/POSS hybrid antifouling coating grafted with antibacterial molecules and preparation method thereof 中国科学院海洋研究所 2023-11-28 CN disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO disclosed
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed
EP-0023889-B1 IMINOISOINDOLINONE METAL COMPLEXES, PROCESS FOR THEIR MANUFACTURE, METHOD FOR PIGMENTING AN ORGANIC HIGH-MOLECULAR MATERIAL AND HIGH-MOLECULAR ORGANIC MATERIAL CONTAINING SUCH A METAL COMPLEX CIBA-GEIGY AG (CH) 1983-03-09 EP disclosed
EP-0023889-A1 Iminoisoindolinone metal complexes, process for their manufacture, method for pigmenting an organic high-molecular material and high-molecular organic material containing such a metal complex CIBA-GEIGY AG (CH) 1981-02-11 EP disclosed
US-4065462-A ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1977-12-27 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-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI ALDH1A1 1841/4885TDP1 3754/4885MAPT 3578/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI ALDH1A1 1841/4885TDP1 3754/4885MAPT 3578/4885

“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.