SCHEMBL670010

SCHEMBL670010

C=C[n+]1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
C5AR1 P21730 1/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
CNR2 P34972 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5382591 0.87 HTR6 (0.38) TLR9GAASMN1; SMN2HTTCA12
SCHEMBL9142537 0.83 TLR9 (0.39) TLR9GAASMN1; SMN2LMNAHTT
SCHEMBL11150598 0.81 C5AR1 (0.41) TLR9GAASMN1; SMN2LMNAHTT
SCHEMBL30923444 0.81 TERT (0.37) TLR9GAASMN1; SMN2LMNAHTT
SCHEMBL1982598 0.80 TERT (0.49) TLR9GAASMN1; SMN2LMNAHTT
SCHEMBL4462187 0.80 ALDH1A1 (0.44) TLR9GAASMN1; SMN2LMNAHTT
Benzene SCHEMBL29261851 0.79 GAA (0.56) TLR9GAASMN1; SMN2LMNAHTT
SCHEMBL10913095 0.79 GAA (0.43) TLR9GAASMN1; SMN2LMNAHTT
SCHEMBL9131821 0.79 GAA (0.43) TLR9GAASMN1; SMN2LMNAHTT
SCHEMBL1254755 0.79 GAA (0.43) TLR9GAASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046376-A1 POLYMERIZABLE POLYMERIC PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-02-23 US claimed
CN-119968229-A Filter with electrostatic filtering function 马蒂夫卢森堡公司 2025-05-09 CN disclosed
CN-109312178-A The method for manufacturing food, cosmetics and drug packages 爱克发有限公司 2019-02-05 CN disclosed
US-10131908-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2018-11-20 US disclosed
US-9278949-B2 Polymerizable thioxanthones AGFA GRAPHICS NV (BE) 2016-03-08 US disclosed
US-20150158839-A1 POLYMERIZABLE THIOXANTHONES AGFA NV (BE) 2015-06-11 US disclosed
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 US disclosed
US-8927513-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8883873-B2 Polymerizable polymeric photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2014-11-11 US disclosed
US-20120157511-A1 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20120046376-A1 POLYMERIZABLE POLYMERIC PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-02-23 US disclosed
WO-2011005860-A2 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed
US-7144993-B2 Process for the preparation of 4-methyl-7-aminoquinolones CIBA SPECIALTY CHEMICALS CORP. (US) 2006-12-05 US disclosed
US-20050222397-A1 Process for the preparation of 4-methyl-7-aminoquinolones CIBA SPECIALTY CHEMICALS CORP. 2005-10-06 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 (5 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-20120157511-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TLR9 2432/4885GAA 1216/4885SMN1; SMN2 2144/4885
US-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TLR9 2437/4885GAA 1215/4885SMN1; SMN2 2114/4885
US-20050222397-A1 Process for the preparation of 4-methyl-7-aminoquinolones CBR1, CBR3, MRPL21 TLR9 3205/4885GAA 3977/4885SMN1; SMN2 3992/4885
US-10131908-B2 5′ phosphate mimics NSUN2, RNGTT, RNMT TLR9 2344/4885GAA 1221/4885SMN1; SMN2 2102/4885
US-20150158839-A1 POLYMERIZABLE THIOXANTHONES HADHA, TST, ASS1 TLR9 2409/4885GAA 3820/4885SMN1; SMN2 3695/4885

“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.