SCHEMBL2009536

SCHEMBL2009536

CC(C)(C)[Si](C)(C)Oc1c(Cl)cccc1CBr

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.35
KDM4E B2RXH2 1/20 0.35
PNMT P11086 1/20 0.32
KMT2A Q03164 1/20 0.31
ELANE P08246 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
NPC1 O15118 1/20 0.30
PREP P48147 1/20 0.30

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 0.88 ELANE (0.34) ELANEALOX5APFEN1PREP
SCHEMBL2879882 0.85 SCN4A (0.35) ELANESLC6A4KCNH2ALOX5APFEN1
SCHEMBL3242496 0.84 CYP1A2 (0.37) KDM4EKMT2AADRA2AADRA2BADRA2C
SCHEMBL12378223 0.81 KDM4E (0.41) KDM4EELANEHTR1ASLC6A2ALOX5AP
SCHEMBL2884123 0.79 TSHR (0.34) ELANESLC6A2ALOX5APFEN1
SCHEMBL2880279 0.77 CYP1A2 (0.33) KMT2A
SCHEMBL14920085 0.77 ALOX5AP (0.37) SLC6A4HTR1ASLC6A2SLC6A3ALOX5AP
SCHEMBL23141475 0.77 NLRP3 (0.31)
SCHEMBL2880083 0.76 ALDH1A1 (0.40) KDM4EKMT2ANPC1
SCHEMBL4904132 0.75 CASR (0.38) IDO1KDM4EPNMTKMT2ASLC6A4

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 17 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-8163730-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-04-24 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-7964631-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-α PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-23 US disclosed
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-02 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-7834052-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha 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-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 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
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA 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
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA 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 (7 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-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 IDO1 1910/4885KDM4E 2871/4885PNMT 3108/4885
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha CD40, TNFRSF1A, OXER1 IDO1 2060/4885KDM4E 2665/4885PNMT 3222/4885
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 IDO1 1740/4885KDM4E 2570/4885PNMT 1641/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 IDO1 1740/4885KDM4E 2570/4885PNMT 1641/4885
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 IDO1 2060/4885KDM4E 2665/4885PNMT 3222/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS IDO1 523/4885KDM4E 1971/4885PNMT 871/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI IDO1 750/4885KDM4E 960/4885PNMT 1454/4885

“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.