SCHEMBL6741226

SCHEMBL6741226

O=[N+]([O-])c1cc(F)ccc1Sc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.67
PDE7B Q9NP56 3/20 0.54
MAPT P10636 6/20 0.49
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
IDO1 P14902 2/20 0.45
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL6743647 0.89 PDE7A (0.73) PDE7APDE7BMAPTTXNRD1TXNRD3
SCHEMBL15307419 0.88 PDE7A (0.64) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL1567751 0.76 PDE7A (0.56) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL5980751 0.76 PDE7A (0.56) PDE7APDE7BMAPTTXNRD1TXNRD3
SCHEMBL19048971 0.76 PDE7A (0.71) PDE7APDE7BMAPTTXNRD1TXNRD3
SCHEMBL2963606 0.75 MAPT (0.55) PDE7APDE7BMAPTTXNRD1TXNRD3
SCHEMBL3874156 0.75 PDE7A (0.58) PDE7AMAPTTXNRD1TXNRD3TXNRD2
SCHEMBL24155822 0.74 MAPT (0.54) PDE7AMAPTALDH1A1MEN1KMT2A
SCHEMBL810705 0.74 PDE7A (0.65) PDE7APDE7BMAPTTXNRD1TXNRD3
SCHEMBL591089 0.73 MAOA (0.44) PDE7AMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents PHARMACIA & UPJOHN COMPANY 2004-02-12 US disclosed
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
WO-2003099797-A1 SALTS OF BIS-ARYLSULFONES FOR THE TREATMENT OF CNS DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-12-04 WO 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 (6 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 PDE7A 818/4885PDE7B 933/4885MAPT 204/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 PDE7A 1308/4885PDE7B 1262/4885MAPT 285/4885
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents HCRTR2, HCRTR1, CNR1 PDE7A 1306/4885PDE7B 580/4885MAPT 3221/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 PDE7A 1308/4885PDE7B 1262/4885MAPT 285/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 PDE7A 1308/4885PDE7B 1262/4885MAPT 285/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 PDE7A 704/4885PDE7B 1299/4885MAPT 1505/4885

“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.