SCHEMBL528809

SCHEMBL528809

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

nearest known ligand 0.45

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
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
C5AR1 P21730 1/20 0.42
GAA P10253 3/20 0.41
MAPT P10636 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
AGER Q15109 1/20 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
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 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
SCHEMBL5745107 0.89 CA12 (0.37) CA12CA9GAAMAPTLMNA
Toluene SCHEMBL4224326 0.86 CA12 (0.43) CA12CA9C5AR1GAAMAPT
SCHEMBL1982598 0.80 TERT (0.49) CA12CA9GAAHTTLMNA
Benzene SCHEMBL29261851 0.79 GAA (0.56) CA12CA9C5AR1GAAHTT
SCHEMBL10913095 0.79 GAA (0.43) CA12CA9GAAHTTLMNA
SCHEMBL9131821 0.79 GAA (0.43) CA12CA9GAAMAPTHTT
SCHEMBL1254755 0.79 GAA (0.43) CA12CA9GAAHTTLMNA
SCHEMBL6514943 0.77 LMNA (0.43) CA12CA9GAAHTTLMNA
SCHEMBL18227925 0.77 CA12 (0.31) CA12CA9CA2
SCHEMBL528808 0.77 HTR2A (0.35) CA12CA9GAAMAPTCA1

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598552-A1 FUNCTIONAL BIODEGRADABLE POLYMERS University Of Akron (US) 2013-06-05 EP claimed
WO-2012015481-A1 FUNCTIONAL BIODEGRADABLE POLYMERS UNIVERSITY OF AKRON (US) 2012-02-02 WO claimed
WO-2025137277-A1 DEGRADABLE PEPTOIDS NUTCRACKER THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
US-20250132401-A1 ADDITIVE FOR LITHIUM RECHARGEABLE BATTERY AND LITHIUM RECHARGEABLE BATTERY INCLUDING THE SAME SOGANG UNIVERSITY RESEARCH & BUSINESS DEVELOPMENT FOUNDATION (KR) 2025-04-24 US disclosed
WO-2022173994-A1 ALTERNATING POLY(LACTIC-CO-GLYCOLIC ACID) AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY (US) 2022-08-18 WO disclosed
US-11225601-B2 Photo-crosslinkable emissive molecular materials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
US-10787576-B2 Method for the preparation of a coating comprising oligomeric alkynes ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2020-09-29 US disclosed
WO-2020119877-A1 MESOGEN COMPOUNDS TRANSITIONS OPTICAL, LTD. (IE) 2020-06-18 WO disclosed
EP-3294700-B1 A PROCESS FOR THE PREPARATION OF LIMONENE-4-OL BASF AGRO BV (NL) 2020-01-29 EP disclosed
US-10538470-B2 Process for the preparation of limonene-4-ol BASF Agro B.V. (NL) 2020-01-21 US disclosed
EP-3262054-B1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS CENTRE NAT RECH SCIENT (FR) 2019-11-13 EP disclosed
EP-0931119-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1999-07-28 EP disclosed
WO-1999024391-A1 RADIO-OPAQUE POLYMER BIOMATERIALS RUTGERS, THE STATE UNIVERSITY (US) 1999-05-20 WO disclosed
WO-1998014529-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1998-04-09 WO disclosed
US-5720950-A ALKOXYLATED PROLINE ANALOG UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1998-02-24 US disclosed
US-5660822-A A PROLINE ANALOG LINKED TO A POLYOXYALKYLENE ETHER THROUGH A SPACER COMPOUND SUCH AS LYSINE; CONTROLLING THE PROLIFERATION OF COLLAGEN; TIME-RELEASE AGENTS; NONTOXIC UNIVERSITY OF MEDICINE & DENTISTRY OF N.J. (US) 1997-08-26 US disclosed
US-5455027-A Drug delivery ENZON, INC. (US) 1995-10-03 US disclosed
US-5372807-A Proline analogs administered to inhibit collagen accumulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 1994-12-13 US disclosed
US-5219564-A Containing pendant carboxylic acid groups ENZON, INC. (US) 1993-06-15 US disclosed
WO-1992000748-A1 POLY(ALKYLENE OXIDE) AMINO ACID COPOLYMERS AND DRUG CARRIERS AND CHARGED COPOLYMERS BASED THEREON ENZON, INC. (US) 1992-01-23 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-20250132401-A1 ADDITIVE FOR LITHIUM RECHARGEABLE BATTERY AND LITHIUM RECHARGEABLE BATTERY INCLUDING THE SAME RER1, GPX1, SLC9A1 CA12 560/4885CA9 240/4885C5AR1 4395/4885
US-11225601-B2 Photo-crosslinkable emissive molecular materials TYR, PNMT, INMT CA12 4010/4885CA9 3923/4885C5AR1 3833/4885
US-10538470-B2 Process for the preparation of limonene-4-ol SQLE, LIMK1, LTA4H CA12 4706/4885CA9 4741/4885C5AR1 3050/4885

“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.