SCHEMBL1628577

SCHEMBL1628577

COc1cc(OC)c(S(=O)(=O)Nc2ccncc2)cc1-c1ccnn1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
ALPL P05186 10/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL1630439 0.94 ALPL (0.47) ALPLSMN1; SMN2LMNA
SCHEMBL1628662 0.91 LMNA (0.45) RECQLALPLALDH1A1SMN1; SMN2LMNA
SCHEMBL1630231 0.90 ALPL (0.60) ALPLALDH1A1LMNA
SCHEMBL1631465 0.87 SMN1; SMN2 (0.48) ALPLPOLBSMN1; SMN2LMNA
SCHEMBL1631546 0.87 HSP90AA1 (0.40) ALPLALDH1A1SMN1; SMN2LMNA
SCHEMBL1629197 0.87 ALPL (0.45) ALPLALDH1A1
SCHEMBL1630234 0.85 ALDH1A1 (0.48) ALPLALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL1219165 0.84 HSP90AA1 (0.40) ALDH1A1SMN1; SMN2LMNA
SCHEMBL1628681 0.83 ALPL (0.47) RECQLALPLALDH1A1SMN1; SMN2LMNA
SCHEMBL1630418 0.83 HSP90AA1 (0.41) ALDH1A1SMN1; SMN2LMNA

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 3 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 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

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 RECQL 211/4885ALPL 4725/4885ALDH1A1 777/4885

“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.