SCHEMBL12253970

SCHEMBL12253970

Cc1ccc(C(=O)O)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.47
▸ MCL1 Q07820 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CTSV O60911 4/20 0.45
▸ CTSL P07711 4/20 0.45
▸ PTGER1 P34995 2/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ MGMT P16455 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42

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
SCHEMBL12253971 0.90 ALDH1A1 (0.46) PTPN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL14228268 0.87 MGMT (0.48) PTPN1MAPTPTGER1PTGER4PTGER3
Glycine SCHEMBL10470638 0.87 PTPN1 (0.41) PTPN1MAPTPTGER1PTGER4PTGER3
SCHEMBL7822540 0.84 CTSV (0.53) MAPTCTSVCTSLMEN1KMT2A
SCHEMBL10473218 0.83 MEN1 (0.40) PTPN1MAPTCTSVCTSLPTGER1
SCHEMBL14199914 0.83 HPGD (0.47) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL14450789 0.83 HPGD (0.47) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL14199912 0.82 HPGD (0.46) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL14199913 0.82 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2PKM
SCHEMBL9348425 0.82 SMN1; SMN2 (0.57) MAPTCTSVCTSLMEN1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100484955-C Analog of actinomycin D UNIV LANZHOU (CN) 2009-05-06 — — CN claimed
CN-1563080-A Analog of actinomycin D UNIV LANZHOU (CN) 2005-01-12 — — CN claimed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 — — US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 — — US disclosed
US-8653261-B2 Modified actinomycin-based nucleic acid stains and methods of their use Life Technologies Corporation (US) 2014-02-18 — — US disclosed
US-20110236887-A1 MODIFIED ACTINOMYCIN-BASED NUCLEIC ACID STAINS AND METHODS OF THEIR USE Life Techologies Corporation (US) 2011-09-29 — — US disclosed
EP-2314599-A1 Glycopeptide antibiotic monomer derivatives National University Corporation Nagoya University (JP) 2011-04-27 — — EP disclosed
CN-101429235-A New high-efficiency low-toxicity actinomycin type D antineoplastic compound UNIV LANZHOU (CN) 2009-05-13 — — CN disclosed
CN-100484955-C Analog of actinomycin D UNIV LANZHOU (CN) 2009-05-06 — — CN disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — US disclosed
EP-1818340-A1 GLYCOPEPTIDE ANTIBIOTIC MONOMER DERIVATIVES National University Corporation Nagoya University (JP) 2007-08-15 — — EP disclosed
CN-1563080-A Analog of actinomycin D UNIV LANZHOU (CN) 2005-01-12 — — CN 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 PTPN1 806/4885MCL1 4113/4885MAPT 4669/4885
US-20110236887-A1 MODIFIED ACTINOMYCIN-BASED NUCLEIC ACID STAINS AND METHODS OF THEIR USE FBL, NSUN2, XRN2 PTPN1 4644/4885MCL1 913/4885MAPT 2993/4885

“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.

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