SCHEMBL501356

SCHEMBL501356

Cc1cc(CO[Si](C)(C)C(C)(C)C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
UHRF1 Q96T88 1/20 0.38
KCNQ2 O43526 1/20 0.36
DYRK1A Q13627 1/20 0.33
MMP12 P39900 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
USP14 P54578 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AAK1 Q2M2I8 4/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDE2A O00408 1/20 0.30
NOS3 P29474 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
SCHEMBL1166695 0.83 LOX (0.34) USP14LOXLOXL2RXRAGRIN1
SCHEMBL30542327 0.82 LOXL2 (0.47) KCNQ2USP14AAK1LOXL2
SCHEMBL331281 0.82 NOS3 (0.51) DYRK1AAAK1LOXLOXL2NOS3
SCHEMBL31139328 0.82 BACE1 (0.34) USP14IRAK4LOXLOXL2
SCHEMBL29411261 0.82 RECQL (0.47) GRM5USP14HDAC4HDAC1HDAC6
SCHEMBL1766223 0.82 RECQL (0.47) GRM5USP14HDAC4HDAC1HDAC6
SCHEMBL2889185 0.82 LOXL2 (0.47) KCNQ2USP14AAK1LOXL2
SCHEMBL25220483 0.81 LOXL2 (0.39) USP14IRAK4LOXLOXL2NOS3
SCHEMBL30464975 0.81 RECQL (0.35) USP14IRAK4
SCHEMBL21068406 0.81 RECQL (0.35) USP14IRAK4

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-20130005721-A1 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-03 US disclosed
US-20130005721-A1 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-03 US disclosed
EP-2480547-A2 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE Panmira Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
WO-2011038086-A2 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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 (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-20130005721-A1 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B GRM5 122/4885UHRF1 3079/4885KCNQ2 3246/4885
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H GRM5 3810/4885UHRF1 3525/4885KCNQ2 4209/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H GRM5 3760/4885UHRF1 3472/4885KCNQ2 4224/4885

“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.