SCHEMBL5735296

SCHEMBL5735296

CC(=O)OCCc1c([N+](=O)[O-])cc(N(C=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
PKM P14618 2/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.31
THRB P10828 1/20 0.31
NTSR1 P30989 1/20 0.31
RAB9A P51151 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5732923 0.84 RAD52 (0.45) RAD52
SCHEMBL5792560 0.76 NPC1 (0.42) MAPTHTTGAALMNARAB9A
SCHEMBL5760938 0.75 RAD52 (0.48) RAD52STAT3ALDH1A1MAPTHTT
SCHEMBL6180186 0.75 RAD52 (0.48) RAD52STAT3ALDH1A1MAPTHTT
SCHEMBL6183967 0.74 RAD52 (0.41) RAD52ALDH1A1MAPTHTTMITF
SCHEMBL5744085 0.71 NPC1 (0.41) ALDH1A1MAPTGAALMNARAB9A
SCHEMBL5734192 0.70 CYP19A1 (0.45) RAD52ALDH1A1MAPTHTTMITF
SCHEMBL5733910 0.69 MEN1 (0.37) ALDH1A1MAPTHTTMITFLMNA
SCHEMBL5736112 0.69 HSP90AA1 (0.36) ALDH1A1MAPTHTTMITFLMNA
SCHEMBL5733771 0.68 MEN1 (0.36) ALDH1A1MAPTHTTMITFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
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
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP 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
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 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 RAD52 50/4885STAT3 4213/4885ALDH1A1 3356/4885

“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.