SCHEMBL1323372

SCHEMBL1323372

C[n+]1ccc(C=O)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

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
CHAT P28329 6/20 0.47
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
CYP2A6 P11509 1/20 0.42
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
SLC6A4 P31645 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
TERT O14746 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
Water SCHEMBL25192063 0.98 CHAT (0.46) CHATALDH1A1GAACYP2A6SLC22A2
SCHEMBL7047125 0.87 CYP2A6 (0.48) CHATGAACYP2A6HDAC8TERT
SCHEMBL15823402 0.82 ALDH1A1 (0.45) CHATALDH1A1GAASLC22A2SLC22A1
Benzaldehyde SCHEMBL28682151 0.82 ALDH1A1 (0.58) ALDH1A1CYP2A6SMN1; SMN2APOBEC3AAPOBEC3G
Benzene SCHEMBL4555522 0.82 CHAT (0.60) CHATALDH1A1CYP2A6SLC22A2SLC22A1
SCHEMBL7044936 0.81 CYP2A6 (0.47) CHATALDH1A1CYP2A6TERTMAPT
SCHEMBL11398927 0.81 CYP2A6 (0.47) CHATALDH1A1CYP2A6TERTMAPT
SCHEMBL31397607 0.81 TERT (0.48) CHATALDH1A1GAASLC22A2SLC22A1
SCHEMBL372527 0.80 CHAT (0.61) CHATALDH1A1TERTMAPTRAB9A
SCHEMBL1425978 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100220430-A1 SUPERCAPACITOR ELECTRODE USING ION-EXCHANGER SAMSUNG ELECTRO-MECHANICS CO., LTD. 2010-09-02 US claimed
EP-1139989-B1 AGENT FOR COLORING KERATINACEOUS FIBERS HENKEL KGAA (DE) 2006-10-18 EP claimed
US-6743263-B1 Method for coloring keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-01 US claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1139989-A1 AGENT FOR COLORING KERATINACEOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-10-10 EP claimed
WO-2000038629-A1 AGENT FOR COLORING KERATINACEOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
EP-0418143-B1 Dicarboxylic acids derivatives containing a nitrogen or oxygen heteroring, process for their preparation and their use as medicines ROUSSEL UCLAF (FR) 1994-03-23 EP claimed
US-4617301-A Sulfoxide and sulfone derivatives of bicyclic lactams as antihypertensives MERCK & CO., INC. (US) 1986-10-14 US claimed
US-20260135164-A1 LITHIUM SECONDARY BATTERIES CAPABLE OF SELF-POISONING PROLOGIUM TECHNOLOGY CO., LTD. (TW) 2026-05-14 US disclosed
EP-4668392-A1 LITHIUM SECONDARY BATTERY CAPABLE OF SELF-POISONING Prologium Technology Co., Ltd. (TW) 2025-12-24 EP disclosed
EP-4668366-A1 LITHIUM SECONDARY BATTERY CAPABLE OF SELF-POISONING Prologium Technology Co., Ltd. (TW) 2025-12-24 EP disclosed
WO-2025064424-A9 TANDEM-CLEAVAGE LINKERS FOR ANTIBODY-DRUG CONJUGATES AND USES THEREOF R.P. SCHERER TECHNOLOGIES, LLC (US) 2025-06-19 WO disclosed
CN-119998964-A Self-poisoning lithium secondary battery 辉能科技股份有限公司 2025-05-13 CN disclosed
CN-119768942-A Self-poisoning lithium secondary battery 辉能科技股份有限公司 2025-04-04 CN disclosed
US-5141952-A Bactericides ROUSSEL UCLAF (FR) 1992-08-25 US disclosed
US-5081135-A Bactericides ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
EP-0418143-A1 Dicarboxylic acids derivatives containing a nitrogen or oxygen heteroring, process for their preparation and their use as medicines ROUSSEL-UCLAF (FR) 1991-03-20 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed
US-4617301-A Sulfoxide and sulfone derivatives of bicyclic lactams as antihypertensives MERCK & CO., INC. (US) 1986-10-14 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-20260135164-A1 LITHIUM SECONDARY BATTERIES CAPABLE OF SELF-POISONING L3MBTL3, HAO2, LDHB CHAT 2172/4885ALDH1A1 1663/4885GAA 131/4885

“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.