SCHEMBL5733608

SCHEMBL5733608

COc1ccc2[nH]c(C(=O)Nc3cc(N(C=O)OCc4ccccc4)c4ccccc4c3CCO)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 6/20 0.48
FLT3 P36888 2/20 0.46
PYGL P06737 1/20 0.45
BCAT1 P54687 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.41
PLCG2 P16885 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL6178175 0.94 KDM4E (0.51) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL5732905 0.91 KDM4E (0.48) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL5733738 0.91 KDM4E (0.47) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6181166 0.82 KDM4E (0.55) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6179455 0.81 PPARD (0.38) PYGLHDAC1HDAC2
SCHEMBL5733051 0.79 LMNA (0.41) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL5736235 0.77 ALDH1A1 (0.38) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5734516 0.76 LRRK2 (0.38) PYGLHDAC2
SCHEMBL5822985 0.76 KDM4E (0.55) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6179806 0.74 HDAC2 (0.37) KDM4EMAPTNPC1PYGLHDAC2

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 KDM4E 1215/4885MAPT 4757/4885NPC1 2541/4885

“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.