SCHEMBL5734847

SCHEMBL5734847

COc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCO)[nH]c2c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 7/20 0.39
PLA2G7 Q13093 2/20 0.39
HDAC3 O15379 1/20 0.39
BRD4 O60885 2/20 0.38
ABCB1 P08183 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMO Q99835 1/20 0.36
GFER P55789 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
Centanamycin SCHEMBL29441389 0.93 LMNA (0.46) LMNAKDM4EALDH1A1HPGDTP53
Centanamycin SCHEMBL5733476 0.93 LMNA (0.46) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL6179609 0.90 LMNA (0.43) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL5734174 0.85 KDM4E (0.44) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL6245786 0.83 KDM4E (0.42) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL5733054 0.83 LMNA (0.47) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL6245792 0.81 LMNA (0.41) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL5734826 0.78 KDM4E (0.44) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL6178008 0.76 KDM4E (0.42) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL5734699 0.76 KDM4E (0.42) LMNAKDM4EALDH1A1HPGDTP53

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 LMNA 1231/4885KDM4E 1215/4885ALDH1A1 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.