SCHEMBL2586993

SCHEMBL2586993

COc1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.81
RAD52 P43351 1/20 0.76
APP P05067 6/20 0.74
ALDH1A1 P00352 2/20 0.74
LMNA P02545 2/20 0.74
KDM4E B2RXH2 1/20 0.74
MAPT P10636 1/20 0.74
PKM P14618 1/20 0.74
UBE2N P61088 1/20 0.74
KMT2A Q03164 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
RCE1 Q9Y256 1/20 0.74
ACHE P22303 7/20 0.71
BCHE P06276 6/20 0.71
POLB P06746 2/20 0.66
EGFR P00533 1/20 0.66
NR2F2 P24468 1/20 0.66
CASP6 P55212 1/20 0.62
USP1 O94782 1/20 0.61
WDR48 Q8TAF3 1/20 0.61

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
SCHEMBL2255109 1.00 SLC2A1 (0.81) SLC2A1RAD52APPALDH1A1LMNA
Hydrochloric Acid SCHEMBL3640013 0.99 SLC2A1 (0.80) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL3117720 0.92 BCHE (0.78) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL2256958 0.91 APP (0.73) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL12175852 0.90 SLC2A1 (1.00) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL23747981 0.89 SLC2A1 (0.66) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL21567314 0.89 BCHE (0.79) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL30092962 0.89 BCHE (0.79) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL2587104 0.88 APP (0.76) SLC2A1RAD52APPALDH1A1LMNA
SCHEMBL2590209 0.88 EGFR (0.69) SLC2A1RAD52APPALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 SLC2A1 3712/4885RAD52 1076/4885APP 3840/4885

“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.