SCHEMBL4190316

SCHEMBL4190316

CCOc1cc(N(Cc2cccnc2)c2ccc(C(=O)NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 3/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMPD1 P17405 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 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
SCHEMBL4202489 0.92 GAA (0.49) NAMPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4202149 0.89 NAMPT (0.46) NAMPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4200530 0.87 BRD4 (0.43) NAMPTGAAALDH1A1USP2NPSR1
SCHEMBL2931338 0.85 GAA (0.44) NAMPTGAAALDH1A1KMT2APKM
SCHEMBL4199924 0.85 PDE4B (0.43) NAMPTGAAALDH1A1KMT2APKM
SCHEMBL6468561 0.85 GAA (0.40) NAMPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4195697 0.84 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2PKMPDE4A
SCHEMBL4193855 0.83 GAA (0.47) NAMPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4204581 0.82 CXCR3 (0.44) NAMPTGAAALDH1A1PKMPDE4A
SCHEMBL4197421 0.80 NAMPT (0.44) NAMPTGAAALDH1A1SMN1; SMN2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US claimed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP claimed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US claimed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO claimed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO 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-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US 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 (2 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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A NAMPT 735/4885GAA 770/4885ALDH1A1 221/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A NAMPT 735/4885GAA 770/4885ALDH1A1 221/4885

“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.