SCHEMBL5822985

SCHEMBL5822985

COc1ccc2[nH]c(C(=O)Nc3cc(NC(=O)OCc4ccccc4)c4ccccc4c3CCCl)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TACR3 P29371 1/20 0.47
FLT3 P36888 1/20 0.47
PYGL P06737 1/20 0.46
BCAT1 P54687 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PLCG2 P16885 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6181166 0.93 KDM4E (0.55) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6181192 0.91 KDM4E (0.52) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6182560 0.89 KDM4E (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6178778 0.83 KDM4E (0.61) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6178008 0.82 KDM4E (0.42) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6178175 0.82 KDM4E (0.51) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6245786 0.76 KDM4E (0.42) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL5733608 0.76 KDM4E (0.51) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL5732905 0.75 KDM4E (0.48) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6180847 0.74 KDM4E (0.41) KDM4EALDH1A1MAPTNPC1RAB9A

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 1215/4885ALDH1A1 3356/4885MAPT 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.