SCHEMBL833509

SCHEMBL833509

Nc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
TDP1 Q9NUW8 1/20 1.00
MAPT P10636 9/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
NPBWR1 P48145 6/20 0.65
POLB P06746 3/20 0.65
CASP3 P42574 2/20 0.65
SENP8 Q96LD8 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
SENP6 Q9GZR1 2/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
HTT P42858 4/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP13 P45452 1/20 0.63

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 1.00 ALDH1A1 (1.00) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL833508 0.87 ALDH1A1 (0.77) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL1171437 0.83 NPC1 (0.82) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL27991181 0.83 ALDH1A1 (0.71) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL4328218 0.81 ALDH1A1 (0.69) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL594033 0.80 ALDH1A1 (0.67) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL1541190 0.80 ALDH1A1 (0.67) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL2711230 0.80 ALDH1A1 (0.67) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL762631 0.80 ALDH1A1 (0.67) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL16061454 0.80 MAPT (0.74) ALDH1A1TDP1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US claimed
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-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
US-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Institut National de la Santé et de la Recherche Médicale (FR) 2024-06-20 US disclosed
CN-116589423-A Phenylpropidium-urea compound, preparation method and application thereof 四川省医学科学院·四川省人民医院 2023-08-15 CN disclosed
CN-113271941-A Urea derivatives for the treatment and/or prevention of cancer 法国国家科学研究中心 2021-08-17 CN disclosed
WO-2020079184-A2 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-04-23 WO disclosed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
EP-1594505-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-16 EP disclosed
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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 (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-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI ALDH1A1 1841/4885TDP1 3754/4885MAPT 3578/4885
US-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA UACA, SLC14A1, MITF ALDH1A1 311/4885TDP1 2970/4885MAPT 409/4885
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors F7, SERPINE1, HABP2 ALDH1A1 3767/4885TDP1 2997/4885MAPT 4322/4885
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.