SCHEMBL1630439

SCHEMBL1630439

COc1cc(OC)c(S(=O)(=O)Nc2ccccc2)cc1-c1ccnn1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 12/20 0.47
NPC1 O15118 1/20 0.43
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1628577 0.94 RECQL (0.47) ALPLLMNASMN1; SMN2
SCHEMBL1628662 0.93 LMNA (0.45) ALPLLMNAMEN1KMT2AMAPT
SCHEMBL1629197 0.92 ALPL (0.45) ALPLNPC1BRD4BRD2BRD3
SCHEMBL1630231 0.92 ALPL (0.60) ALPLLMNA
SCHEMBL1631465 0.91 SMN1; SMN2 (0.48) ALPLNPC1LMNAMEN1KMT2A
SCHEMBL1628681 0.89 ALPL (0.47) ALPLBRD4BRD2BRD3LMNA
SCHEMBL1631546 0.89 HSP90AA1 (0.40) ALPLLMNASMN1; SMN2
SCHEMBL1630234 0.87 ALDH1A1 (0.48) ALPLNPC1BRD4BRD2BRD3
SCHEMBL1219165 0.86 HSP90AA1 (0.40) LMNAMAPTSMN1; SMN2
SCHEMBL1630418 0.85 HSP90AA1 (0.41) LMNAKMT2AMAPTSMN1; SMN2

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 ALPL 4725/4885NPC1 855/4885BRD4 1016/4885

“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.