SCHEMBL523810

SCHEMBL523810

O=[C]Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.53
IDO1 P14902 3/20 0.52
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PYCR1 P32322 1/20 0.46
AKR1C3 P42330 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL4223676 0.84 LOXL2 (0.59) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL44366 0.81 POLB (0.76) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL8087428 0.81 POLB (0.76) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL8094050 0.81 POLB (0.76) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL4521415 0.81 PYCR1 (0.57) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL398128 0.81 GAA (0.59) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL4230681 0.81 LOXL2 (0.55) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL3633599 0.81 LOXL2 (0.55) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL12415808 0.81 PYCR1 (0.57) LOXL2POLBTSHRIDO1CYP2C19
SCHEMBL1528870 0.79 TSHR (0.60) LOXL2POLBTSHRIDO1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN claimed
EP-3738591-A2 NOVEL ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2020-11-18 EP claimed
WO-2018229261-A1 COMBINATION MEDICAMENT COMPRISING A PRODRUG AND INHALABLE CATALYST ETH Zürich (CH) 2018-12-20 WO claimed
CN-108310000-A Treat malaria, the method for tuberculosis and MAC diseases 森普拉制药公司 2018-07-24 CN claimed
US-9669046-B2 Biodefenses using triazole-containing macrolides CEMPRA PHARMACEUTICALS, INC. (US) 2017-06-06 US claimed
EP-2475253-B1 METHODS FOR TREATING MALARIA, TUBERCULOSIS AND MAC DISEASES CEMPRA PHARMACEUTICALS INC (US) 2016-10-26 EP claimed
US-20160280718-A1 NOVEL ANTIBACTERIAL AGENTS MERCK SHARP & DOHME (US) 2016-09-29 US claimed
CN-103601641-B Glaucocalyxin A derivative and in the application of preparing in antineoplastic ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) 2016-05-04 CN claimed
US-20160082028-A1 BIODEFENSES USING TRIAZOLE-CONTAINING MACROLIDES TETARD, INC. 2016-03-24 US claimed
EP-2772254-A2 Novel Antibacterial Agents Optimer Pharmaceuticals, Inc. (US) 2014-09-03 EP claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed
US-5656753-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-08-12 US claimed
WO-1996029088-A1 NOVEL PIPERAZINE DERIVATIVES AS TYPE IL-1 RECEPTOR ANTAGONISTS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-09-26 WO claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 US claimed
US-4401660-A TYLOSINS; VETERINARY MEDICINE; PASTEURELLA; ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1983-08-30 US claimed
US-4396613-A DEMYCINOSYLTYLOSIN, ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US claimed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 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-20160280718-A1 NOVEL ANTIBACTERIAL AGENTS MRPL21, MRPL12, CTSA LOXL2 3529/4885POLB 4318/4885TSHR 3235/4885
US-20160082028-A1 BIODEFENSES USING TRIAZOLE-CONTAINING MACROLIDES ABHD16A, ABHD12, BRDT LOXL2 2808/4885POLB 2623/4885TSHR 3031/4885

“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.