SCHEMBL1742989

SCHEMBL1742989

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCCCBr

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TTR P02766 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL27906227 0.95 POLB (0.49) POLBHTTLMNACASP3SENP8
SCHEMBL29620246 0.94 HTT (0.52) POLBHTTLMNACASP3SENP8
SCHEMBL2468068 0.94 HTT (0.52) POLBHTTLMNACASP3SENP8
SCHEMBL2150376 0.90 HTT (0.53) POLBHTTLMNACASP3SENP8
SCHEMBL1743708 0.89 POLB (0.49) POLBHTTLMNACASP3SENP8
SCHEMBL16067368 0.89 HTT (0.51) POLBHTTLMNACASP3SENP8
SCHEMBL20631194 0.89 HTT (0.51) POLBHTTLMNANPC1CYP3A4
SCHEMBL12221992 0.88 HTT (0.47) POLBHTTLMNACASP3SENP8
SCHEMBL4377808 0.86 LMNA (0.50) POLBHTTLMNACASP3SENP8
SCHEMBL2618863 0.86 HTT (0.53) POLBHTTLMNACASP3SENP8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US disclosed
EP-1813614-B1 Cytotoxic agents comprising new tomaymycin derivatives SANOFI SA (FR) 2011-10-05 EP disclosed
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1981889-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-10-22 EP disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 WO disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 EP 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-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 POLB 1478/4885HTT 1103/4885LMNA 681/4885

“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.