SCHEMBL1630304

SCHEMBL1630304

Cc1cc(O)c(-c2ccnn2-c2ccccc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
THRB P10828 1/20 0.54
HSP90AA1 P07900 4/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.45
MDM2 Q00987 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR3C2 P08235 1/20 0.38
PDE10A Q9Y233 1/20 0.38
POLB P06746 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL27704136 0.80 HSP90AA1 (0.52) MAPTTHRBHSP90AA1ALDH1A1ATM
SCHEMBL13522940 0.80 HSP90AA1 (0.51) MAPTHSP90AA1ALDH1A1GAAKDM4E
SCHEMBL13522938 0.80 HSP90AA1 (0.51) MAPTHSP90AA1ALDH1A1ATMMEN1
SCHEMBL18587614 0.78 MAPT (0.59) MAPTTHRBHSP90AA1ALDH1A1GAA
SCHEMBL12722866 0.77 HSP90AA1 (0.53) HSP90AA1ALDH1A1MDM2MEN1KMT2A
SCHEMBL13522945 0.76 HSP90AA1 (0.51) MAPTHSP90AA1ALDH1A1GAAKDM4E
SCHEMBL1630409 0.75 HSP90AA1 (0.51) MAPTHSP90AA1ALDH1A1GAASMN1; SMN2
SCHEMBL13522939 0.74 HSP90AA1 (0.51) MAPTHSP90AA1KDM4ESMN1; SMN2MDM2
SCHEMBL1630223 0.73 MAPT (0.43) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL2411487 0.73 MAPT (0.35) MAPTTHRBHSP90AA1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP claimed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US claimed
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 CN claimed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP claimed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 WO claimed
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
CN-101535328-B New derivatives of 5-thioxilopyranose FOURNIER LAB SA 2013-06-05 CN disclosed
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
CN-101535328-A New derivatives of 5-thioxilopyranose FOURNIER LAB SA (FR) 2009-09-16 CN disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US disclosed
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 CN disclosed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP disclosed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 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 (2 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 MAPT 4090/4885THRB 2288/4885HSP90AA1 1492/4885
US-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P MAPT 2299/4885THRB 2556/4885HSP90AA1 2/4885

“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.