SCHEMBL563763

SCHEMBL563763

O=[N+]([O-])c1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 5/20 0.63
TSHR P16473 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
MAPT P10636 6/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 2/20 0.55
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
HCAR3 P49019 1/20 0.50
PRSS1 P07477 1/20 0.50

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
SCHEMBL6233037 0.91 ALDH1A1 (0.67) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL8107611 0.90 MAPT (0.60) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL14364287 0.88 MAPT (0.60) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL29390514 0.87 KMT2A (0.70) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL8147273 0.87 MAPT (0.65) PKMKMT2AALDH1A1MAPTKDM4E
SCHEMBL126989 0.87 KMT2A (0.70) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL563246 0.86 KMT2A (0.71) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL29868082 0.86 KMT2A (0.71) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL27562350 0.84 KMT2A (0.52) PKMKMT2AALDH1A1TSHRTDP1
SCHEMBL8053888 0.84 ALDH1A1 (0.63) PKMKMT2AALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124552-A4 ANTITUMOR CHRYSENE DERIVATIVES REGENTS BOARD OF (US) 2005-01-05 EP claimed
EP-1124552-A1 ANTITUMOR CHRYSENE DERIVATIVES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-08-22 EP claimed
WO-2000024394-A1 ANTITUMOR CHRYSENE DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-05-04 WO claimed
US-12084517-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2024-09-10 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2023-08-15 US disclosed
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2023-08-15 US disclosed
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-27 US disclosed
US-11014992-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2021-05-25 US disclosed
US-20200354476-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2020-11-12 US disclosed
EP-1684816-A2 METHODS OF PREPARING CROSSLINKED MATERIALS AND BIOPROSTHETIC DEVICES Medtronic, Inc. (US) 2006-08-02 EP disclosed
US-7053051-B2 Methods of preparing crosslinked materials and bioprosthetic devices MEDTRONIC, INC. (US) 2006-05-30 US disclosed
US-20050136510-A1 Methods of preparing crosslinked materials and bioprosthetic devices MEDTRONIC, INC. 2005-06-23 US disclosed
WO-2005042043-A2 METHODS OF PREPARING CROSSLINKED MATERIALS AND BIOPROSTHETIC DEVICES MEDTRONIC, INC. (US) 2005-05-12 WO disclosed
EP-1285269-B1 LIPID UPTAKE ASSAYS DEVGEN NV (BE) 2005-02-02 EP disclosed
US-6703214-B2 MICROSCOPIC NEMATODES IN FUNCTIONAL HIGH THROUGHPUT IN VIVO ASSAYS FOR DETECTION OF INHIBITORS OR ACTIVATORS OF INTESTINAL LIPID UPTAKE DEVGEN NV (BE) 2004-03-09 US disclosed
EP-1285269-A2 LIPID UPTAKE ASSAYS Devgen NV (BE) 2003-02-26 EP disclosed
US-20020137205-A1 Lipid uptake assays DEVGEN N.V. (BE) 2002-09-26 US disclosed
WO-2001088533-A2 LIPID UPTAKE ASSAYS DEVGEN NV (BE) 2001-11-22 WO 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 (6 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-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 PKM 4075/4885KMT2A 606/4885ALDH1A1 2479/4885
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 PKM 4075/4885KMT2A 606/4885ALDH1A1 2479/4885
US-20200354476-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 PKM 4075/4885KMT2A 606/4885ALDH1A1 2479/4885
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 PKM 4075/4885KMT2A 606/4885ALDH1A1 2479/4885
US-11014992-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 PKM 4075/4885KMT2A 606/4885ALDH1A1 2479/4885
US-12084517-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 PKM 4075/4885KMT2A 606/4885ALDH1A1 2479/4885

“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.