SCHEMBL6513059

SCHEMBL6513059

CN(C)/C=C\C(=O)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 1.00
LMNA P02545 5/20 1.00
RECQL P46063 2/20 1.00
MAPT P10636 10/20 0.77
ALDH1A1 P00352 9/20 0.77
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
HPGD P15428 2/20 0.68
ALOX12 P18054 1/20 0.68
HTT P42858 2/20 0.62
NPC1 O15118 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 1/20 0.58
HSP90AA1 P07900 1/20 0.58
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL1015798 1.00 RAB9A (1.00) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL1015799 1.00 RAB9A (1.00) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL23251385 0.90 MAPT (0.81) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL1186589 0.82 MAPT (0.70) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL7364598 0.82 MAPT (0.70) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL4894896 0.82 RECQL (0.75) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL12914243 0.82 MAPT (0.70) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL1186588 0.82 MAPT (0.70) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL801273 0.82 MAPT (0.70) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL4894903 0.82 RECQL (0.75) RAB9ALMNARECQLMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162057-A Preparation method of 5-sulfonyl-1, 4 dihydropyridine compound 西北工业大学 2023-05-26 CN claimed
CN-116162057-A Preparation method of 5-sulfonyl-1, 4 dihydropyridine compound 西北工业大学 2023-05-26 CN disclosed
CN-108884047-B Intermediates for the synthesis of aryl or heteroaryl substituted 5-hydroxy-1, 7-naphthyridine compounds and methods for their preparation 沈阳三生制药有限责任公司 2022-03-08 CN disclosed
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 RAB9A 3089/4885LMNA 2530/4885RECQL 3645/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 RAB9A 2725/4885LMNA 2851/4885RECQL 3494/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 RAB9A 3089/4885LMNA 2530/4885RECQL 3645/4885

“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.