SCHEMBL3246716

SCHEMBL3246716

Cc1nc(SCCO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSTP1 P09211 4/20 0.33
GSTM2 P28161 4/20 0.33
TXNRD1 Q16881 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
DUT P33316 2/20 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
SCHEMBL3250049 0.79 LMNA (0.34) L3MBTL1MAPTDUT
SCHEMBL14659292 0.79 DUT (0.32) ALDH1A1L3MBTL1GSTP1GSTM2TXNRD1
SCHEMBL31703573 0.78 NPC1 (0.37) ALDH1A1TXNRD1MAPTKDM4EDUT
SCHEMBL14659521 0.77 GSTP1 (0.34) ALDH1A1L3MBTL1GSTP1GSTM2TXNRD1
SCHEMBL31703473 0.77 NPC1 (0.36) ALDH1A1TXNRD1MAPTKDM4EDUT
SCHEMBL3254366 0.76 ALDH1A1 (0.71) ALDH1A1L3MBTL1GSTP1GSTM2TXNRD1
SCHEMBL25340685 0.71 GRM5 (0.38) L3MBTL1GSTP1GSTM2
SCHEMBL5971901 0.70 ALDH1A1 (0.61) ALDH1A1L3MBTL1GSTP1GSTM2TXNRD1
SCHEMBL5455878 0.68 MAPT (0.55) ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL25340420 0.68 GSTP1 (0.30) GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 EP disclosed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 EP disclosed
EP-1911756-A2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-07-13 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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO ALDH1A1 269/4885L3MBTL1 3100/4885GSTP1 300/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK ALDH1A1 238/4885L3MBTL1 4315/4885GSTP1 597/4885
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PNPO, PLPBP, FPGS ALDH1A1 342/4885L3MBTL1 2953/4885GSTP1 485/4885

“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.