SCHEMBL5734516

SCHEMBL5734516

O=CN(OCc1ccccc1)c1cc(NC(=O)c2cc3cc(NC(=O)c4cc5ccocc-5c4)ccc3[nH]2)c(CCCl)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
PPARD Q03181 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HDAC2 Q92769 4/20 0.37
NHERF1 O14745 4/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PYGL P06737 4/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6179455 0.94 PPARD (0.38) LRRK2PPARDNR1H4HDAC2NHERF1
SCHEMBL6179806 0.93 HDAC2 (0.37) LRRK2PPARDNR1H4HDAC2NHERF1
SCHEMBL5734058 0.92 LRRK2 (0.37) LRRK2PPARDNR1H4HDAC2NHERF1
SCHEMBL6182772 0.92 LRRK2 (0.36) LRRK2PPARDNR1H4HDAC2NHERF1
SCHEMBL5733235 0.82 HDAC2 (0.47) LRRK2PPARDNR1H4HDAC2NHERF1
SCHEMBL6178175 0.82 KDM4E (0.51) HDAC2PYGL
SCHEMBL5733608 0.76 KDM4E (0.51) HDAC2PYGL
SCHEMBL5735275 0.76 PYGL (0.39) LRRK2PPARDNR1H4HDAC2NHERF1
SCHEMBL5732905 0.74 KDM4E (0.48) HDAC2PYGL
SCHEMBL5733738 0.73 KDM4E (0.47) HDAC2PYGL

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 LRRK2 3088/4885PPARD 4207/4885NR1H4 810/4885

“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.