SCHEMBL632453

SCHEMBL632453

O=[N+]([O-])C(Cl)=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 1.00
PRMT1 Q99873 1/20 0.58
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL632451 1.00 FBP1 (1.00) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL632452 1.00 FBP1 (1.00) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL28488527 0.80 FBP1 (0.70) FBP1ALDH1A1
SCHEMBL28485590 0.80 FBP1 (0.70) FBP1ALDH1A1
SCHEMBL13983962 0.80 FBP1 (0.70) FBP1ALDH1A1
SCHEMBL630964 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL630963 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL525207 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL30295762 0.80 FBP1 (1.00) FBP1ALDH1A1AKR1C3
SCHEMBL6912556 0.79 FBP1 (0.65) FBP1PRMT1AKR1C3AKR1C1

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-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
CN-103848830-B A kind of simple and easy method of synthesis imidazo [1,2-α] pyridine derivate 淮阴师范学院 2016-08-03 CN claimed
CN-105040398-A Improved cashmere oxidation bleaching method NINGXIA ZHONGYIN CASHMERE CO LTD 2015-11-11 CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN disclosed
CN-103848830-B A kind of simple and easy method of synthesis imidazo [1,2-α] pyridine derivate 淮阴师范学院 2016-08-03 CN disclosed
CN-104610003-B A kind of method of high-efficient carrier catalyst asymmetry catalysis Michael addition 台州学院 2016-07-06 CN disclosed
EP-2419094-B1 Compounds for the treatment of mitochondrial diseases CENTRE NAT RECH SCIENT (FR) 2016-06-08 EP disclosed
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US disclosed
CN-105294591-A High-stereo and highly-enantioselective oxazolinedione compound, preparation method and application thereof UNIV HENAN 2016-02-03 CN disclosed
CN-105040398-A Improved cashmere oxidation bleaching method NINGXIA ZHONGYIN CASHMERE CO LTD 2015-11-11 CN disclosed
CN-104945376-A synthesizing method for 3-aroyl indole compound UNIV ANHUI SCI & TECHNOLOGY 2015-09-30 CN disclosed
CN-1950337-A (4, 5,6, 7-tetrahydro-1-H-indol-7-yl) acetic acid derivatives for the treatment of Alzheimer's disease MERCK SHARP & DOHME (GB) 2007-04-18 CN disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 WO disclosed
CN-1026206-C Arylpyrrole insecticidal acaricidal and nematicidal agents and method for preparation thereof AMERICAN CYANAMID CO (US) 1994-10-19 CN disclosed
CN-1039807-A Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof AMERICAN CYANAMID CO (US) 1990-02-21 CN disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
US-4119646-A Hexahydrobenzofuranone compounds MOBIL OIL CORPORATION (US) 1978-10-10 US disclosed
US-4011239-A MANGANESE, VANADIUM, CERIUM MOBIL OIL CORPORATION (US) 1977-03-08 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 (1 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-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 FBP1 161/4885PRMT1 1302/4885ALDH1A1 159/4885

“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.