SCHEMBL351553

SCHEMBL351553

O=C(O)c1ccc2cccc([N+](=O)[O-])c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.51
APEX1 P27695 1/20 0.50
PLA2G2D Q9UNK4 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 1/20 0.48
PTPN1 P18031 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 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
SCHEMBL11052022 0.87 PTPN1 (0.58) CASP6ALDH1A1MEN1KMT2ATSHR
SCHEMBL23909538 0.86 ALDH1A1 (0.54) CASP6ALDH1A1MEN1KMT2ATSHR
SCHEMBL7061043 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL30714879 0.82 CASP6 (0.64) CASP6MEN1KMT2ATSHRLMNA
SCHEMBL8960516 0.82 CASP6 (0.64) CASP6MEN1KMT2ATSHRLMNA
SCHEMBL772810 0.79 CDK2 (0.55) CASP6ALDH1A1MEN1KMT2ATSHR
SCHEMBL30399151 0.79 CDK2 (0.55) CASP6ALDH1A1MEN1KMT2ATSHR
SCHEMBL7061209 0.79 KMT2A (0.58) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL26885179 0.79 HTT (0.55) ALDH1A1MEN1KMT2ALMNAHCAR3
SCHEMBL11054419 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199653-A1 METHOD FOR FORMING AN ELECTRICALLY CONDUCTIVE METAL ORGANIC FRAMEWORK COMPOSITE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2024-06-20 US claimed
EP-3801880-A1 METHOD FOR IN-SITU SYNTHESIS OF METAL ORGANIC FRAMEWORKS (MOFS), COVALENT ORGANIC FRAMEWORKS (COFS) AND ZEOLITE IMIDAZOLATE FRAMEWORKS (ZIFS), AND APPLICATIONS THEREOF Desiccant Rotors International Private Ltd. (IN) 2021-04-14 EP claimed
US-20210016245-A1 METHOD FOR IN-SITU SYNTHESIS OF METAL ORGANIC FRAMEWORKS (MOFs), COVALENT ORGANIC FRAMEWORKS (COFs) AND ZEOLITE IMIDAZOLATE FRAMEWORKS (ZIFs), AND APPLICATIONS THEREOF DESICCANT ROTORS INTERNATIONAL PRIVATE LIMITED (IN) 2021-01-21 US claimed
US-20200291045-A1 CONDUCTIVITY ENHANCEMENT OF MOFS VIA DEVELOPMENT OF MOFPOLYMER COMPOSITE MATERIAL KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-09-17 US claimed
EP-2739169-B1 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INST TECHNOLOGY (US) 2019-06-12 EP claimed
US-20140311507-A1 Porous Catalytic Matrices for Elimination of Toxicants Found in Tobacco Combustion Products MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-23 US claimed
EP-2739169-A2 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS Massachusetts Institute Of Technology (US) 2014-06-11 EP claimed
WO-2013019865-A2 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-02-07 WO claimed
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-1616462-A Diamine monomer containing di-dehydrated hexitol unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN claimed
CN-1616521-A Polyimide containing isoscrbierite unit and its preparing method UNIV TSINGHUA (CN) 2005-05-18 CN claimed
US-20240197868-A1 IMMUNOGENIC COMPOSITION CONTAINING AN ANTIGEN AND AN ADJUVANT COMPRISING AL-MOFS UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2024-06-20 US disclosed
US-20240199653-A1 METHOD FOR FORMING AN ELECTRICALLY CONDUCTIVE METAL ORGANIC FRAMEWORK COMPOSITE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2024-06-20 US disclosed
EP-4313133-A2 IMMUNOGENIC COMPOSITION CONTAINING AN ANTIGEN AND AN ADJUVANT COMPRISING AL-MOFS UNIVERSITE DE VERSAILLES-SAINT QUENTIN EN YVELINES (FR) 2024-02-07 EP disclosed
US-11891406-B2 Conductivity enhancement of MOFs via development of MOFpolymer composite material KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2024-02-06 US disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 CASP6 4189/4885ALDH1A1 299/4885MEN1 3065/4885

“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.