SCHEMBL535532

SCHEMBL535532

[CH2]Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
LMNA P02545 2/20 0.61
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
ALDH1A1 P00352 4/20 0.52
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
F2 P00734 1/20 0.50
HSP90AA1 P07900 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47
MEN1 O00255 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
SCHEMBL4203388 0.83 TSHR (0.67) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL6273333 0.82 TSHR (0.64) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL30043252 0.82 TSHR (0.64) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL30059246 0.80 LMNA (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL9158141 0.80 ALDH1A1 (0.67) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL10948730 0.80 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL9628075 0.80 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL5609078 0.80 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL28940575 0.80 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL515302 0.80 LMNA (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US claimed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-4125622-A ANTITHROMBOSIS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-11-14 US disclosed
US-4115383-A Alkoxycarbonyl-ethylthio-azetidinones and process for their preparation ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4048162-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4031082-A Process for preparing 3-acycloxymethyl-2-cephem compounds ELI LILLY AND COMPANY (US) 1977-06-21 US disclosed
US-4029651-A ESTERIFICATION ELI LILLY AND COMPANY (US) 1977-06-14 US disclosed
US-4008231-A Preparation of 3-methoxymethylcephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-4008230-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TSHR 1585/4885LMNA 2721/4885CHRNB2 2056/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TSHR 643/4885LMNA 4742/4885CHRNB2 4725/4885

“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.