SCHEMBL2331946

SCHEMBL2331946

N=C(N)c1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 20/20 0.52
KDM4E B2RXH2 1/20 0.45
SLC22A1 O15245 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLAU P00749 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
HTR1A P08908 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SLC9A1 P19634 1/20 0.45
MAOA P21397 1/20 0.45
ADORA2A P29274 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
HTR2B P41595 1/20 0.45

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
Hydrochloric Acid SCHEMBL937656 0.89 SCNN1A (0.50) SCNN1A
SCHEMBL14180718 0.89 SCNN1A (0.62) SCNN1AKDM4ESLC22A1ALDH1A1PLAU
SCHEMBL10028719 0.88 SCNN1A (0.61) SCNN1AKDM4EALDH1A1PLAUCYP1A2
Hydrochloric Acid SCHEMBL938745 0.87 SCNN1A (0.52) SCNN1A
SCHEMBL938255 0.85 SCNN1A (0.49) SCNN1AKDM4ESLC22A1ALDH1A1PLAU
Hydrochloric Acid SCHEMBL938699 0.84 SCNN1A (0.48) SCNN1AKDM4EALDH1A1PLAULMNA
SCHEMBL964853 0.84 SCNN1A (0.48) SCNN1APLAU
SCHEMBL13165427 0.84 SCNN1A (0.52) SCNN1AKDM4ESLC22A1ALDH1A1PLAU
Hydrochloric Acid SCHEMBL938184 0.83 SCNN1A (0.48) SCNN1AKDM4EALDH1A1PLAULMNA
SCHEMBL937465 0.83 SCNN1A (0.48) SCNN1AKDM4ESLC22A1ALDH1A1PLAU

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167266-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2019-01-01 US disclosed
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
US-20150376146-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 US disclosed
US-8846688-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2014-09-30 US disclosed
US-20140179625-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-06-26 US disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 US disclosed
EP-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 EP disclosed
US-20090227530-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-09-10 US disclosed
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-03-05 US disclosed
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-11-15 US disclosed
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents CYFI, INC. (US) 2006-06-29 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 (9 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-20170267650-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A SCNN1A 12/4885KDM4E 1832/4885SLC22A1 553/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G SCNN1A 2/4885KDM4E 4485/4885SLC22A1 214/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A SCNN1A 12/4885KDM4E 1832/4885SLC22A1 553/4885
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B SCNN1A 30/4885KDM4E 3448/4885SLC22A1 725/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D SCNN1A 92/4885KDM4E 4461/4885SLC22A1 998/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A SCNN1A 12/4885KDM4E 1832/4885SLC22A1 553/4885
US-20090227530-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A SCNN1A 12/4885KDM4E 1832/4885SLC22A1 553/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A SCNN1A 12/4885KDM4E 1832/4885SLC22A1 553/4885
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B SCNN1A 30/4885KDM4E 3448/4885SLC22A1 725/4885

“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.