SCHEMBL2902648

SCHEMBL2902648

COc1cc(F)c([N+](=O)[O-])cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.49
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4D Q08499 8/20 0.43
PDE4B Q07343 7/20 0.43
PDE4A P27815 6/20 0.43
PDE4C Q08493 4/20 0.43
LMNA P02545 1/20 0.41
CYP19A1 P11511 2/20 0.41
MEN1 O00255 1/20 0.40
PTGES O14684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL2905188 0.84 PDE5A (0.50) PDE5AALDH1A1CYP3A4MAPTALOX15
SCHEMBL31377991 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTALOX15KDM4E
SCHEMBL1766175 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTALOX15KDM4E
SCHEMBL2906067 0.83 PDE5A (0.49) PDE5AALDH1A1CYP3A4MAPTALOX15
SCHEMBL28892853 0.82 PDE5A (0.43) PDE5APDE4DPDE4BPDE4APDE4C
SCHEMBL30002505 0.82 PDE5A (0.43) PDE5APDE4DPDE4BPDE4APDE4C
SCHEMBL8084461 0.82 PPOX (0.46) PDE5AALDH1A1CYP3A4MAPTALOX15
SCHEMBL7355696 0.81 ALDH1A1 (0.71) PDE5AALDH1A1CYP3A4MAPTALOX15
SCHEMBL22065381 0.80 PDE5A (0.52) PDE5ACYP3A4MAPTKDM4EPDE4D
SCHEMBL20631457 0.80 PDE5A (0.52) PDE5ACYP3A4KDM4EPDE4DPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
CN-1922144-A Phosphodiesterase 4 inhibitors, including n-substituted diarylamine analogs MEMORY PHARM CORP (US) 2007-02-28 CN disclosed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B PDE5A 7/4885ALDH1A1 300/4885CYP3A4 104/4885

“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.