SCHEMBL2880034

SCHEMBL2880034

CC(C)(C)[Si](C)(C)Oc1ccc(Cl)cc1CBr

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 9/20 0.36
HTR2A P28223 3/20 0.36
KCNH2 Q12809 2/20 0.36
SLC6A2 P23975 8/20 0.35
DRD2 P14416 1/20 0.35
HTR2C P28335 6/20 0.34
HTR2B P41595 6/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGER1 P34995 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL17784701 0.87 SLC6A4 (0.36) MEN1PKMKMT2ASLC6A4HTR2A
SCHEMBL6768684 0.82 CA12 (0.44) HTR2ADRD2
SCHEMBL17784694 0.81 MAPT (0.35) SLC6A4HTR2AKCNH2DRD2
SCHEMBL1178457 0.81 DRD2 (0.38) SLC6A4HTR2AKCNH2SLC6A2DRD2
SCHEMBL18805728 0.81 ATM (0.40) MEN1KMT2ADRD2PTGER1NPSR1
SCHEMBL2989844 0.80 S1PR4 (0.42) SLC6A2SLC6A3
SCHEMBL16535794 0.79 IDO1 (0.45) HTR2ADRD2
SCHEMBL12378188 0.78 CYP1A2 (0.43) SLC6A4HTR2ASLC6A2HTR2CHTR2B
SCHEMBL4978091 0.77 SLC6A4 (0.39) MEN1PKMKMT2ASLC6A4KCNH2
SCHEMBL1094866 0.77 S1PR4 (0.34) MEN1PKMKMT2ADRD2NPSR1

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
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 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-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO 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 (4 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 MEN1 4261/4885PKM 1915/4885KMT2A 3477/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 MEN1 4261/4885PKM 1915/4885KMT2A 3477/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS MEN1 4674/4885PKM 3333/4885KMT2A 1657/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI MEN1 4614/4885PKM 2762/4885KMT2A 1744/4885

“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.