SCHEMBL5733235

SCHEMBL5733235

Nc1cc(NC(=O)c2cc3cc(NC(=O)c4cc5ccocc-5c4)ccc3[nH]2)c(CCCl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.47
PYGL P06737 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NHERF1 O14745 1/20 0.38
LRRK2 Q5S007 3/20 0.38
PPARD Q03181 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
PIK3CA P42336 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL5734516 0.82 LRRK2 (0.38) HDAC2PYGLMAOAMAOBNHERF1
SCHEMBL5735275 0.80 PYGL (0.39) HDAC2PYGLMAOAMAOBNHERF1
SCHEMBL6179432 0.77 LRRK2 (0.36) HDAC2PYGLNHERF1LRRK2TP53
SCHEMBL6178778 0.77 KDM4E (0.61) TP53HDAC3HDAC1HDAC6
SCHEMBL6179455 0.76 PPARD (0.38) HDAC2PYGLMAOAMAOBNHERF1
SCHEMBL6245337 0.76 HDAC2 (0.42) HDAC2PYGLNHERF1TP53POLB
SCHEMBL6245333 0.75 HDAC2 (0.42) HDAC2PYGLNHERF1TP53POLB
SCHEMBL6179806 0.75 HDAC2 (0.37) HDAC2PYGLMAOAMAOBNHERF1
SCHEMBL6182772 0.74 LRRK2 (0.36) HDAC2PYGLMAOAMAOBNHERF1
SCHEMBL5732990 0.74 LRRK2 (0.38) HDAC2PYGLMAOAMAOBNHERF1

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 9 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 claimed
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 claimed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US claimed
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 claimed
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 claimed
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 claimed
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

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 HDAC2 1940/4885PYGL 4444/4885MAOA 4545/4885

“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.