SCHEMBL2879882

SCHEMBL2879882

Cc1cccc(CBr)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 3/20 0.35
SCN8A Q9UQD0 3/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP3A4 P08684 2/20 0.35
NFKB1 P19838 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35
GBA1 P04062 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 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
SCHEMBL8693680 0.90 ELANE (0.34) PREPELANEALOX5APFEN1
SCHEMBL2009536 0.85 IDO1 (0.35) SLC6A4KCNH2PREPELANEALOX5AP
SCHEMBL8695508 0.84 CYP1A2 (0.39) SCN4ACYP2D6CYP1A2SCN8ALMNA
SCHEMBL2884123 0.81 TSHR (0.34) CYP1A2LMNASCN5ASCN9ACYP3A4
SCHEMBL2880083 0.77 ALDH1A1 (0.40) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL15912665 0.76 ACHE (0.39) CYP2D6CYP1A2SCN8ASLC6A4PREP
SCHEMBL22801143 0.76 CD44 (0.41) SCN4ACYP2D6CYP1A2SCN8ALMNA
SCHEMBL12378223 0.76 KDM4E (0.41) CYP2D6CYP1A2HTR2AHTR2BPREP
SCHEMBL4513903 0.74 SCN4A (0.41) SCN4ACYP2D6CYP1A2SCN8ALMNA
SCHEMBL7240943 0.74 RIPK1 (0.36) PREPELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
EP-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO 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-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 SCN4A 356/4885CYP2D6 2917/4885CYP1A2 3595/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 SCN4A 356/4885CYP2D6 2917/4885CYP1A2 3595/4885

“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.