SCHEMBL4457299

SCHEMBL4457299

CCCC[n+]1ccn(C)c1.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
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
APAF1 O14727 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MITF O75030 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
BLM P54132 1/20 0.42
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL7462976 0.95 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL7463633 0.95 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2230706 0.90 KDM4E (0.47) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL2935750 0.86 PSIP1 (0.37) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL28429206 0.85 KDM4E (0.39) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL3027844 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL7195917 0.85 KDM4E (0.48) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL14720657 0.85 KDM4E (0.48) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL28365668 0.85 KDM4E (0.48) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL28026186 0.85 KDM4E (0.48) ALDH1A1KDM4EHTTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253905-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
EP-1824827-B1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2008-09-17 EP disclosed
EP-1824827-A1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT Merck Patent GmbH (DE) 2007-08-29 EP disclosed
WO-2006063656-A1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 WO disclosed
EP-1182197-A1 Single step preparation of ionic fluids Solvent Innovation GmbH (DE) 2002-02-27 EP 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-20090253905-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT ARSA, STS, SCLY ALDH1A1 1854/4885KDM4E 2807/4885MAPT 3921/4885

“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.