SCHEMBL964676

SCHEMBL964676

CS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 3/20 0.44
PTPN2 P17706 2/20 0.44
PTPN6 P29350 2/20 0.44
CYP19A1 P11511 7/20 0.44
ALDH1A1 P00352 3/20 0.43
PTPRF P10586 1/20 0.42
PTPN11 Q06124 1/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7612401 0.89 NPC1 (0.46) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL7528094 0.89 NPC1 (0.46) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL7620186 0.88 EGFR (0.43) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL963777 0.88 MEN1 (0.52) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL7651537 0.86 ACHE (0.45) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL3292376 0.83 CYP19A1 (0.48) L3MBTL1PTPN1PTPN2PTPN6CYP19A1
SCHEMBL7242360 0.82 MEN1 (0.51) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7113315 0.80 EGFR (0.47) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL964882 0.80 L3MBTL1 (0.44) L3MBTL1PTPN1PTPN2PTPN6CYP19A1
SCHEMBL964883 0.80 L3MBTL1 (0.44) L3MBTL1PTPN1PTPN2PTPN6CYP19A1

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-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 US disclosed
EP-2035004-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY Parion Sciences, Inc. (US) 2009-03-18 EP disclosed
US-7442839-B2 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
EP-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 EP disclosed
WO-2007146869-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2007-12-21 WO disclosed
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2006-09-14 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 (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-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases PHOSPHO1, PNMT, NAPEPLD NPC1 1249/4885HPGD 337/4885RAB9A 1770/4885
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G NPC1 1106/4885HPGD 787/4885RAB9A 1094/4885

“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.