SCHEMBL6744948

SCHEMBL6744948

CC(C)(C)OC(=O)N1CCN(c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.59
BCL2 P10415 1/20 0.52
BCL2L1 Q07817 1/20 0.52
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MET P08581 1/20 0.50
PDK2 Q15119 1/20 0.48
HTT P42858 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
PDE7A Q13946 1/20 0.46
PDE7B Q9NP56 1/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
NAMPT P43490 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL21575891 0.86 MAPT (0.65) MAPTALDH1A1LMNABCL2BCL2L1
SCHEMBL29352877 0.86 MAPT (0.65) MAPTALDH1A1LMNABCL2BCL2L1
SCHEMBL7045545 0.86 MEN1 (0.56) MAPTALDH1A1BCL2L1GAAMEN1
SCHEMBL7045540 0.86 MEN1 (0.56) MAPTALDH1A1BCL2L1GAAMEN1
SCHEMBL16270620 0.84 MAPT (0.71) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29858317 0.84 MAPT (0.71) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6747471 0.83 PDK2 (0.51) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL20855884 0.82 MAPT (0.65) MAPTALDH1A1LMNABCL2BCL2L1
SCHEMBL16665290 0.82 ALDH1A1 (0.68) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL5216622 0.82 MAPT (0.68) MAPTALDH1A1LMNABCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014966-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2004-01-22 US disclosed
US-20030225065-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2003-12-04 US disclosed
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6586592-B2 Labled isotopes of phenyl 4-(1,4-diazepin-1-yl)-2-amino phenyl sulfone derivatives used in nuclear magnetic resonance imaging and positron emission tomography PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6579870-B2 5-(1,4-diazepan-1-yl)-2-((3 -fluorophenyl)sulfonyl)phenylamine for example; treatment of diseases or disorders of the central nervous system; modulation of serotonin (5-HT) activity PHARMACIA & UPJOHN COMPANY 2003-06-17 US disclosed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP disclosed
US-20020115660-A1 Bis -arylsulfones PHARMACIA & UPJOHN COMPANY 2002-08-22 US disclosed
US-20020037892-A1 Bis-arylsulfones PHARMACIA & UPJOHN COMPANY 2002-03-28 US disclosed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 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 (5 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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA MAPT 204/4885ALDH1A1 1320/4885LMNA 2142/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 MAPT 285/4885ALDH1A1 462/4885LMNA 3440/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 MAPT 285/4885ALDH1A1 462/4885LMNA 3440/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 MAPT 285/4885ALDH1A1 462/4885LMNA 3440/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 MAPT 1505/4885ALDH1A1 1243/4885LMNA 3070/4885

“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.