SCHEMBL6179243

SCHEMBL6179243

O=C(Nc1ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MGLL Q99685 3/20 0.51
POLB P06746 1/20 0.47
ENPP2 Q13822 3/20 0.46
ROCK2 O75116 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
PTPN1 P18031 1/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44

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
SCHEMBL7045118 1.00 ALDH1A1 (0.52) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL7041971 0.88 MAPT (0.51) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL18812865 0.82 LMNA (0.65) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL906526 0.82 MEN1 (0.63) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL17761731 0.82 MGLL (0.54) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL29463677 0.82 LMNA (0.65) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL12325527 0.82 KMT2A (0.63) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL6183422 0.81 ALDH1A1 (0.53) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL6180150 0.81 ENPP2 (0.57) ALDH1A1TP53MAPTNPC1TSHR
SCHEMBL17653813 0.80 MGLL (0.54) ALDH1A1TP53MAPTNPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US disclosed
EP-0850224-B1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2003-04-09 EP disclosed
EP-1225169-A1 Radiation-activated cytotoxin therapy AUCKLAND UNISERVICES LIMITED (NZ) 2002-07-24 EP disclosed
US-6071908-A A RADIATION-ACTIVATED CYTOTOXIN PRODRUG HAVING LOW TOXICITY, WHICH CAN BE REDUCED BY REDUCING AGENTS GENERATED BY THE RADIOLYSIS OF WATER WHICH RELEASES AN CYTOXIC EFFECTOR; ANTITUMOR,-CARCINOGENIC AGENTS; AUCKLAND UNISERVICES LIMITED (NZ) 2000-06-06 US disclosed
US-5985909-A Cyclopropylindoles and their seco precursors, and their use as prodrugs CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-16 US disclosed
EP-0850220-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1998-07-01 EP disclosed
EP-0850224-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1998-07-01 EP disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 WO disclosed
WO-1997007097-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1997-02-27 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 (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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 ALDH1A1 3356/4885TP53 471/4885MAPT 4757/4885

“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.