SCHEMBL7220230

SCHEMBL7220230

CN1CCN(c2ccccc2O)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
HTR6 P50406 2/20 0.50
CYP2D6 P10635 1/20 0.48
GAA P10253 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GFER P55789 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 2/20 0.45
DRD1 P21728 1/20 0.45
TERT O14746 1/20 0.44
PAX8 Q06710 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HTT P42858 1/20 0.43
DRD3 P35462 1/20 0.43
ADRA2C P18825 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1308333 0.82 ADRA2C (0.60) L3MBTL1GAASMN1; SMN2GFERMAPT
Catechol SCHEMBL28483503 0.78 SMN1; SMN2 (0.54) L3MBTL1CYP2D6GAASMN1; SMN2ALDH1A1
Catechol SCHEMBL9390287 0.78 SMN1; SMN2 (0.54) L3MBTL1CYP2D6GAASMN1; SMN2ALDH1A1
Phenol SCHEMBL1308949 0.76 ADRA2C (0.53) L3MBTL1GAASMN1; SMN2GFERKMT2A
N-Methyl Pyrrolidine (Nmp) SCHEMBL29261751 0.75 CYP2D6 (0.60) L3MBTL1CYP2D6GAASMN1; SMN2ALDH1A1
N-Methyl Pyrrolidine (Nmp) SCHEMBL15994943 0.75 CYP2D6 (0.60) L3MBTL1CYP2D6GAASMN1; SMN2ALDH1A1
SCHEMBL5470285 0.75 GAA (0.60) L3MBTL1GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7220234 0.74 L3MBTL1 (0.60) L3MBTL1HTR6GAAALDH1A1GFER
N-Methylpiperidine SCHEMBL2149763 0.74 CYP2D6 (0.59) L3MBTL1CYP2D6GAASMN1; SMN2ALDH1A1
Orthocresol SCHEMBL28343544 0.74 LMNA (0.49) L3MBTL1CYP2D6GAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545037-B2 Thromboxane A2 (TXA2) receptor and 5HT2 serotonergic receptor antagonists; 3-(6-(((4-chlorophenyl)sulphonyl)amino)-3-((2-(4-methyl-1 -piperazinyl)phenoxy)methyl)-5,6, 7,8-tetrahydro-1-naphthyl)propanoic acid for example LES LABORATOIRES SERVIER (FR) 2003-04-08 US disclosed
US-6469011-B2 NITROGEN OXIDE YIELDING AND THROMBOXANE A2 (TXA2) AND SEROTONIN (5HT2) RECEPTOR ANTAGONIST; TREATMENT OF ATHEROTHROMBOTIC CARDIOVASCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2002-10-22 US disclosed
US-20020137742-A1 Benzenesulfonamide compounds LAVIELLE GILBERT (FR) 2002-09-26 US disclosed
EP-1118610-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-08-21 EP disclosed
US-20010009915-A1 New benzenesulfonamide compounds LES LABORATOIRES SERVIER (FR) 2001-07-26 US disclosed
EP-1118610-A1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-25 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 (2 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-20010009915-A1 New benzenesulfonamide compounds CNR1, CNR2, HTR1A L3MBTL1 3898/4885HTR6 36/4885CYP2D6 230/4885
US-20020137742-A1 Benzenesulfonamide compounds CNR1, CNR2, HTR1A L3MBTL1 3710/4885HTR6 40/4885CYP2D6 327/4885

“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.