SCHEMBL11052022

SCHEMBL11052022

O=C(O)c1ccc2c([N+](=O)[O-])cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.58
CASP6 P55212 1/20 0.57
ALDH1A1 P00352 2/20 0.56
TSHR P16473 3/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
APEX1 P27695 1/20 0.50
AKR1C4 P17516 2/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 2/20 0.49
AR P10275 1/20 0.49
HCAR3 P49019 4/20 0.49
TDP1 Q9NUW8 2/20 0.48
POLB P06746 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
SCHEMBL351553 0.87 CASP6 (0.57) PTPN1CASP6ALDH1A1TSHRLMNA
SCHEMBL23909599 0.86 ALDH1A1 (0.54) CASP6ALDH1A1TSHRLMNAMEN1
SCHEMBL23909575 0.86 ALDH1A1 (0.54) PTPN1CASP6ALDH1A1TSHRMEN1
SCHEMBL7243262 0.82 MEN1 (0.62) CASP6ALDH1A1TSHRLMNAMEN1
SCHEMBL18640132 0.82 AKR1C4 (0.54) ALDH1A1LMNAMEN1KMT2AAKR1C4
Methyl Alcohol SCHEMBL8967197 0.79 MEN1 (0.59) CASP6ALDH1A1TSHRLMNAMEN1
SCHEMBL30399151 0.79 CDK2 (0.55) PTPN1CASP6ALDH1A1TSHRMEN1
SCHEMBL8960516 0.79 CASP6 (0.64) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL30714879 0.79 CASP6 (0.64) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL772810 0.79 CDK2 (0.55) PTPN1CASP6ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497441-C Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2009-06-10 CN claimed
CN-1289504-C Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2006-12-13 CN claimed
CN-1616521-A Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN claimed
CN-1616462-A Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN claimed
WO-2023209342-A1 METHOD AND APPARATUS FOR CARBON DIOXIDE SEPARATION MOF Technologies Limited (GB) 2023-11-02 WO disclosed
US-20220267268-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2022-08-25 US disclosed
CN-114616224-A Novel tricyclic 5-HT2Antagonists 安娜玛有限公司 2022-06-10 CN disclosed
EP-3986865-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS AnaMar AB (SE) 2022-04-27 EP disclosed
CN-109642094-B Composite material 巴斯夫欧洲公司 2021-09-14 CN disclosed
WO-2020254322-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2020-12-24 WO disclosed
CN-105579128-B The method that recycling forms the component of metal-organic framework materials 巴斯夫欧洲公司 2019-10-08 CN disclosed
CN-107074429-B Sorbent materials for extended produce (product) shelf life 巴斯夫公司 2019-08-09 CN disclosed
WO-2014191725-A1 PROCESS FOR THE PREPARATION OF A METAL-ORGANIC COMPOUND THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2014-12-04 WO disclosed
WO-2014078328-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
CN-100497441-C Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2009-06-10 CN disclosed
CN-1289504-C Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2006-12-13 CN disclosed
CN-1616521-A Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN disclosed
CN-1616462-A Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN disclosed
US-4490370-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-12-25 US disclosed
EP-0122155-A2 Improvements in or relating to naphthylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP 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-20220267268-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS HTR2B, HTR2C, TPH2 PTPN1 2112/4885CASP6 3967/4885ALDH1A1 1862/4885

“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.