SCHEMBL13520587

SCHEMBL13520587

O=[N+]([O-])c1ccc(C#CCCCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.49
PTPN1 P18031 2/20 0.49
PTPN6 P29350 2/20 0.49
PTPN11 Q06124 2/20 0.49
TSHR P16473 1/20 0.46
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 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
SCHEMBL22398101 0.88 TSHR (0.50) PTPN2PTPN1PTPN6PTPN11TSHR
SCHEMBL15807681 0.84 PTPN2 (0.46) PTPN2PTPN1PTPN6PTPN11CASP3
SCHEMBL13520584 0.83 FFAR1 (0.52) PTPN2PTPN1PTPN6PTPN11CASP3
SCHEMBL18452361 0.82 KDM4E (0.53) CHRNB4CHRNA3ALDH1A1MAPTMEN1
SCHEMBL1309403 0.82 PTPN2 (0.47) PTPN2PTPN1PTPN6PTPN11CASP3
SCHEMBL1311725 0.82 PTPN2 (0.45) PTPN2PTPN1PTPN6PTPN11TSHR
SCHEMBL6690856 0.82 ALDH1A1 (0.50) PTPN2PTPN1PTPN6PTPN11TSHR
SCHEMBL6318644 0.81 TSHR (0.48) TSHRCASP3SENP8SENP7SENP6
Bicarbonate SCHEMBL25419740 0.81 PTPN2 (0.47) PTPN2PTPN1PTPN6PTPN11TSHR
SCHEMBL6690094 0.81 ALDH1A1 (0.49) PTPN2PTPN1PTPN6PTPN11TSHR

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
US-20170327472-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY PARION SCIENCES, INC. (US) 2017-11-16 US disclosed
US-20170327472-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY PARION SCIENCES, INC. (US) 2017-11-16 US disclosed
EP-3150585-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY Parion Sciences, Inc. (US) 2017-04-05 EP disclosed
US-9593084-B2 Chloro-pyrazine carboxamide derivatives with epithelial sodium channel blocking activity PARION SCIENCES, INC. (US) 2017-03-14 US disclosed
US-9593084-B2 Chloro-pyrazine carboxamide derivatives with epithelial sodium channel blocking activity PARION SCIENCES, INC. (US) 2017-03-14 US disclosed
US-20140171447-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY PARION SCIENCES, INC. (US) 2014-06-19 US disclosed
US-20140171447-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY PARION SCIENCES, INC. (US) 2014-06-19 US disclosed
US-7642391-B1 Palladium-catalyzed coupling of aryl halides with alkynes IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-01-05 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-20140171447-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY SCNN1B, SCNN1A, SCNN1G PTPN2 2346/4885PTPN1 2811/4885PTPN6 2948/4885
US-20170327472-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY SCNN1B, SCNN1A, SCNN1G PTPN2 2346/4885PTPN1 2811/4885PTPN6 2948/4885

“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.