SCHEMBL1969259

SCHEMBL1969259

CO[Si](OC)(OC)n1ccnc1.CS(=O)(=O)O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
NFKB1 P19838 1/20 0.31
QPCT Q16769 1/20 0.31
HSD17B10 Q99714 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
MAPT P10636 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
SCHEMBL538362 0.86 NFKB1 (0.40) HTTNFKB1QPCTHSD17B10QPCTL
Hydrochloric Acid SCHEMBL1971661 0.84 NFKB1 (0.39) HTTNFKB1QPCTHSD17B10QPCTL
1-Methylimidazole SCHEMBL15295407 0.73 NFKB1 (0.60) HTTNFKB1QPCTHSD17B10QPCTL
1-Methylimidazole SCHEMBL459534 0.70 QPCT (0.68) HTTNFKB1QPCTHSD17B10QPCTL
1-Methylimidazole SCHEMBL28194536 0.70 QPCT (0.68) HTTNFKB1QPCTHSD17B10QPCTL
SCHEMBL23302369 0.69 NFKB1 (0.40) HTTNFKB1QPCTHSD17B10QPCTL
1-Methylimidazole SCHEMBL29110568 0.68 NFKB1 (0.65) HTTNFKB1QPCTHSD17B10QPCTL
SCHEMBL1681960 0.65 ALDH1A1 (0.47) QPCT
1-Methylimidazole SCHEMBL993748 0.65 NFKB1 (0.60) HTTNFKB1QPCTHSD17B10QPCTL
SCHEMBL537922 0.64 NFKB1 (0.36) NFKB1QPCTHSD17B10QPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8864894-B2 Resist underlayer film forming composition containing silicone having onium group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-10-21 US disclosed
EP-2336256-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM WITH ONIUM GROUP Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-20110143149-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICONE HAVING ONIUM GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-16 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 (1 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-20110143149-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICONE HAVING ONIUM GROUP SRR, KDM2B, MSR1 HTT 4643/4885NFKB1 3971/4885QPCT 4343/4885

“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.