SCHEMBL7470528

SCHEMBL7470528

Cc1ccc(S(=O)(=O)O)cc1.Clc1ncc(OCC2CCNC2)cc1Br

nearest known ligand 0.48

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 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.48
KCNH2 Q12809 2/20 0.48
RCOR1 Q9UKL0 1/20 0.48
EP300 Q09472 1/20 0.43
MAOB P27338 1/20 0.41
AKT1 P31749 1/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL7461389 1.00 KDM1A (0.48) KDM1AKCNH2RCOR1EP300MAOB
SCHEMBL7456585 1.00 KDM1A (0.48) KDM1AKCNH2RCOR1EP300MAOB
SCHEMBL7460130 0.91 KDM1A (0.50) KDM1AKCNH2RCOR1EP300MAOB
SCHEMBL7466377 0.87 KDM1A (0.47) KDM1AKCNH2RCOR1EP300MAOB
SCHEMBL7458922 0.87 KDM1A (0.53) KDM1AKCNH2RCOR1EP300MAOB
SCHEMBL7470524 0.85 SLC6A2 (0.42) KDM1AKCNH2RCOR1EP300SLC6A2
SCHEMBL7465166 0.84 KDM1A (0.46) KDM1AKCNH2RCOR1EP300MAOB
SCHEMBL7462728 0.84 KDM1A (0.46) KDM1AKCNH2RCOR1EP300MAOB
SCHEMBL7465245 0.84 ALDH1A1 (0.43) ALDH1A1HTTKMT2A
SCHEMBL7459201 0.84 SLC6A2 (0.49) KDM1AKCNH2RCOR1EP300SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 US disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 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 (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-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE KDM1A 2535/4885KCNH2 303/4885RCOR1 3038/4885

“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.