SCHEMBL911343

SCHEMBL911343

NCCCCc1ccc(OCCNC(=O)CNC(OC(=O)C(F)(F)F)C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL911345 0.78 CA12 (0.47) KMT2AITGB3ITGA2BATMMEN1
SCHEMBL11932185 0.71 S1PR1 (0.48) ITGB3ITGA2BALDH1A1FFAR1
Hydrochloric Acid SCHEMBL910680 0.70 S1PR1 (0.47) ITGB3ITGA2BALDH1A1FFAR1
SCHEMBL2328368 0.69 CA1 (0.61) KMT2AITGB3ITGA2BALDH1A1CA12
Trifluoroacetic Acid SCHEMBL911342 0.69 CA12 (0.45) ITGB3ITGA2BALDH1A1CA12CA1
SCHEMBL911404 0.68 S1PR1 (0.57) ITGB3ITGA2BLMNACA1CA2
SCHEMBL910656 0.66 ITGB3 (0.44) KMT2AITGB3ITGA2BMEN1ALDH1A1
SCHEMBL917743 0.66 PTPN1 (0.46) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL17919109 0.66 KMT2A (0.46) KMT2AITGB3ITGA2BMEN1ALDH1A1
SCHEMBL16383914 0.66 KMT2A (0.46) KMT2AITGB3ITGA2BMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507497-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-08-13 US disclosed
EP-1922073-B1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-10 EP disclosed
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-08-30 US disclosed
US-8211895-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-03 US disclosed
US-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-01-06 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
EP-1922073-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-21 EP disclosed
WO-2007018640-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-02-15 WO disclosed
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-02-08 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 (3 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-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 KMT2A 2467/4885ITGB3 2862/4885ITGA2B 1900/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 KMT2A 2467/4885ITGB3 2862/4885ITGA2B 1900/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 KMT2A 2467/4885ITGB3 2862/4885ITGA2B 1900/4885

“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.