SCHEMBL963777

SCHEMBL963777

CC(=O)c1ccc(OCc2ccccc2)c(N(Cc2ccccc2)S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP19A1 P11511 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 2/20 0.48
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN6 P29350 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PTPRF P10586 1/20 0.44
PTPN11 Q06124 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL964676 0.88 NPC1 (0.46) CYP19A1L3MBTL1PTPN2PTPN1PTPN6
SCHEMBL7528094 0.88 NPC1 (0.46) MEN1KMT2ACYP19A1L3MBTL1PTPN2
SCHEMBL7612401 0.88 NPC1 (0.46) CYP19A1L3MBTL1PTPN2PTPN1PTPN6
SCHEMBL6743658 0.87 KMT2A (0.53) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3292376 0.85 CYP19A1 (0.48) CYP19A1L3MBTL1PTPN2PTPN1PTPN6
SCHEMBL3286888 0.84 ALDH1A1 (0.48) CYP19A1L3MBTL1PTPN2PTPN1PTPN6
SCHEMBL7620186 0.82 EGFR (0.43) MEN1KMT2ACYP19A1L3MBTL1PTPN2
SCHEMBL7651537 0.82 ACHE (0.45) MEN1KMT2ACYP19A1L3MBTL1PTPN2
SCHEMBL6744834 0.81 KMT2A (0.56) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6744892 0.81 KMT2A (0.56) MEN1KMT2AL3MBTL1ALDH1A1HPGD

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 10 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
EP-1219604-A1 METHOD FOR IMPROVING THE SOLUBILITY OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-07-03 EP disclosed
EP-1195371-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-04-10 EP 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 MEN1 1596/4885KMT2A 151/4885CYP19A1 3439/4885
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G MEN1 3385/4885KMT2A 2496/4885CYP19A1 4570/4885

“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.