SCHEMBL3540312

SCHEMBL3540312

C[Si](C)(C)CCOCn1cnc(C(=O)[O-])c1.[Na+]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
DGAT1 O75907 3/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL15701590 0.86 NPC1 (0.33) NPC1DGAT1MAPT
SCHEMBL29218325 0.84 NPC1 (0.40) NPC1DGAT1MAPT
SCHEMBL2549674 0.83 MEN1 (0.39) NPC1DGAT1MAPT
SCHEMBL24757824 0.81 DGAT1 (0.37) NPC1DGAT1MAPT
SCHEMBL20168404 0.81 NOTUM (0.43) DGAT1MAPT
SCHEMBL24102250 0.81 ACHE (0.33) NPC1DGAT1MAPT
SCHEMBL31324234 0.79 DGAT1 (0.32) NPC1DGAT1MAPT
SCHEMBL24102212 0.78 DGAT1 (0.35) DGAT1MAPT
SCHEMBL24102248 0.78 DGAT1 (0.35) DGAT1
SCHEMBL22093120 0.78 DGAT1 (0.31) NPC1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705042-B2 Class of arylamide compounds useful as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2010-04-27 US disclosed
EP-1807407-B1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 EP disclosed
US-7427683-B2 c-fms kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-23 US disclosed
EP-1812425-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP disclosed
EP-1807407-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
US-20060100201-A1 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 US disclosed
WO-2006047479-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
WO-2006047504-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
US-20050131022-A1 C-fms kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 US disclosed
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 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 (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-20050131022-A1 C-fms kinase inhibitors FLT3, FES, FGR NPC1 4199/4885DGAT1 4594/4885MAPT 296/4885
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B NPC1 818/4885DGAT1 1411/4885MAPT 2375/4885
US-20060100201-A1 Inhibitors of c-fms kinase MUSK, FLT3, FES NPC1 4575/4885DGAT1 3937/4885MAPT 159/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B NPC1 750/4885DGAT1 1407/4885MAPT 2042/4885

“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.