SCHEMBL5743792

SCHEMBL5743792

COc1ccc(C=CC(=O)Nc2cc(NC(=O)OC(C)(C)C)c3ccccc3c2CCO)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 3/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.32
TRPA1 O75762 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
HDAC8 Q9BY41 3/20 0.32
MCHR1 Q99705 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31

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
SCHEMBL5744253 0.93 NPC1 (0.34) TRPV1MEN1KMT2AHTTNPC1
SCHEMBL5741373 0.91 TOP2A (0.33) TRPV1MEN1KMT2AHTTNPC1
SCHEMBL5744657 0.90 TRPV1 (0.31) TRPV1MEN1KMT2AHTTNPC1
SCHEMBL5743793 0.83 HDAC8 (0.32) TRPV1NPC1L3MBTL1RAB9ATRPA1
SCHEMBL6195405 0.78 MCHR1 (0.40) KMT2ANPC1L3MBTL1RAB9ATRPA1
SCHEMBL6199067 0.78 MCHR1 (0.40) KMT2ANPC1L3MBTL1RAB9ATRPA1
Hydrochloric Acid SCHEMBL7250855 0.78 MCHR1 (0.40) KMT2ANPC1L3MBTL1RAB9ATRPA1
Hydrochloric Acid SCHEMBL7250850 0.78 MCHR1 (0.40) KMT2ANPC1L3MBTL1RAB9ATRPA1
SCHEMBL5744255 0.76 NPC1 (0.32) TRPV1NPC1L3MBTL1RAB9ATRPA1
SCHEMBL5741378 0.74 RAD52 (0.33) HDAC8

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 TRPV1 4683/4885MEN1 1970/4885KMT2A 3055/4885

“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.