SCHEMBL6747346

SCHEMBL6747346

O=[N+]([O-])c1cc(N2CCNCC2)ccc1Sc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
GAA P10253 1/20 0.57
HTR2C P28335 1/20 0.56
MAPT P10636 8/20 0.55
RECQL P46063 1/20 0.55
PDE7A Q13946 1/20 0.54
PDE7B Q9NP56 1/20 0.54
HTR6 P50406 3/20 0.54
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.51
HTR1A P08908 3/20 0.50
HTR3A P46098 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL7045545 0.83 MEN1 (0.56) ALDH1A1GAAMAPTRECQLPDE7A
SCHEMBL7045540 0.83 MEN1 (0.56) ALDH1A1GAAMAPTRECQLPDE7A
SCHEMBL30307826 0.78 MAPT (0.75) ALDH1A1GAAMAPTRECQLHTR6
SCHEMBL28954967 0.78 MAPT (0.75) ALDH1A1GAAMAPTRECQLHTR6
SCHEMBL6744948 0.77 MAPT (0.59) ALDH1A1GAAMAPTPDE7APDE7B
SCHEMBL7374614 0.74 MAPT (0.65) ALDH1A1GAAMAPTRECQLHTR6
SCHEMBL2921548 0.74 MAPT (0.65) ALDH1A1GAAMAPTRECQLHTR6
SCHEMBL2922033 0.74 MAPT (0.65) ALDH1A1GAAHTR2CMAPTRECQL
SCHEMBL30267001 0.74 MAPT (0.65) ALDH1A1GAAHTR2CMAPTRECQL
SCHEMBL16654714 0.74 MAPT (0.78) ALDH1A1GAAMAPTRECQLHTR6

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 ALDH1A1 1320/4885GAA 520/4885HTR2C 664/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 ALDH1A1 462/4885GAA 366/4885HTR2C 150/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 ALDH1A1 462/4885GAA 366/4885HTR2C 150/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 ALDH1A1 462/4885GAA 366/4885HTR2C 150/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 ALDH1A1 1243/4885GAA 887/4885HTR2C 66/4885

“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.