SCHEMBL1628601

SCHEMBL1628601

COc1cc(O)c(-c2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1Sc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ APP P05067 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35
▸ MEN1 O00255 3/20 0.34

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
SCHEMBL1630686 0.93 PDE10A (0.38) MAPTAPPPDE10ATUBB4ATUBB
SCHEMBL1628898 0.86 HSP90AA1 (0.40) MAPTPDE10AHSP90AA1TUBB4ATUBB
SCHEMBL5171042 0.78 ALDH1A1 (0.37) MAPTPDE10AHSP90AA1MEN1KMT2A
SCHEMBL1629198 0.73 MAPT (0.47) MAPTAPPMEN1KMT2APOLB
SCHEMBL1628982 0.71 MAPT (0.47) MAPTMEN1KMT2ALMNA
SCHEMBL1629833 0.70 POLB (0.40) MAPTAPPMEN1KMT2APOLB
SCHEMBL19240298 0.65 SMN1; SMN2 (0.56) MAPTMEN1KMT2ALMNAGAA
SCHEMBL15559248 0.65 APP (0.51) MAPTAPPMEN1KMT2ALMNA
SCHEMBL27932730 0.65 PDE10A (0.44) MAPTPDE10AHSP90AA1MEN1KMT2A
SCHEMBL1629144 0.65 PIK3CD (0.49) MAPTAPPMEN1KMT2ALMNA

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 8 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-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 claimed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 — — US claimed
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 — — EP 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-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 — — US 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 (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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P MAPT 2299/4885APP 3942/4885PDE10A 3756/4885

“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.

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