SCHEMBL2491629

SCHEMBL2491629

OC(O)c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP3A4 P08684 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
PGK1 P00558 3/20 0.37
PGK2 P07205 3/20 0.37
APP P05067 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.35
IDO1 P14902 2/20 0.34
TACR1 P25103 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
ADRB1 P08588 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL11605816 0.85 CYP2D6 (0.47) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL9016042 0.85 CYP2D6 (0.41) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL1155059 0.81 MEN1 (0.47) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL27994438 0.81 CYP2D6 (0.39) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL11604146 0.79 CYP3A4 (0.44) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL4083168 0.79 IDO1 (0.37) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL15050442 0.78 CYP3A4 (0.47) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL15051228 0.78 CYP3A4 (0.47) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL15050445 0.78 CYP3A4 (0.47) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4
SCHEMBL7108194 0.78 SLC6A3 (0.40) CYP2D6SLC6A3CYP3A4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404678-B2 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2013-03-26 US disclosed
EP-2170890-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2011-10-26 EP disclosed
US-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
EP-2170890-A2 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009016516-A2 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-05 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-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE TOMM34, TOMM70, TOMM40 CYP2D6 2264/4885SLC6A3 3718/4885CYP3A4 2081/4885

“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.