SCHEMBL1157591

SCHEMBL1157591

COc1ccc([N+](=O)[O-])cc1OC1CCOC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.55
PDE4B Q07343 9/20 0.55
PDE4A P27815 7/20 0.55
PDE4C Q08493 7/20 0.55
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL29125419 0.95 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CHTT
SCHEMBL29125417 0.95 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CHTT
SCHEMBL27289091 0.86 ALDH1A1 (0.45) PDE4DPDE4BPDE4APDE4CNPSR1
SCHEMBL1157300 0.85 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CHTT
SCHEMBL31481195 0.83 HSPB1 (0.45) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL21295348 0.83 CYP19A1 (0.42) PDE4DPDE4BPDE4APDE4CHTT
SCHEMBL16385491 0.83 TDP1 (0.51) PDE4DPDE4BPDE4APDE4CHTT
SCHEMBL30684940 0.83 SCD (0.51) PDE4DPDE4BPDE4APDE4CHTT
SCHEMBL21295551 0.83 NTRK1 (0.56) PDE4DPDE4BPDE4APDE4CTDP1
SCHEMBL30744010 0.83 NTRK1 (0.56) PDE4DPDE4BPDE4APDE4CTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046146-A9 Phosphodiesterase 4 inhibitors SCHUMACHER RICHARD A 2011-02-24 US disclosed
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
US-7205320-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-17 US disclosed
US-20070078139-A1 Phosphodiesterase 4 inhibitors SCHUMACHER RICHARD A 2007-04-05 US disclosed
EP-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 EP disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US disclosed
US-20040230072-A1 Phosphodiesterase 4 inhibitors SCHUMACHER RICHARD A (US) 2004-11-18 US disclosed
US-6699890-B2 N-SUBSTITUTED DIETHER ANILINE AND DIETHER DIPHENYLAMINE DERIVATIVES MEMORY PHARMACEUTICALS CORP. 2004-03-02 US disclosed
US-20030149052-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-08-07 US disclosed
US-20020151566-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2002-10-17 US disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 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 (7 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-20030149052-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3A PDE4D 9/4885PDE4B 2/4885PDE4A 1/4885
US-20020151566-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3A PDE4D 9/4885PDE4B 2/4885PDE4A 1/4885
US-20040230072-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3A PDE4D 9/4885PDE4B 2/4885PDE4A 1/4885
US-20110046146-A9 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B PDE4D 9/4885PDE4B 2/4885PDE4A 1/4885
US-20070078139-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B PDE4D 9/4885PDE4B 2/4885PDE4A 1/4885
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A PDE4D 8/4885PDE4B 2/4885PDE4A 1/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A PDE4D 8/4885PDE4B 2/4885PDE4A 1/4885

“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.