SCHEMBL2908810

SCHEMBL2908810

COC(=O)c1ccc(NCc2cncs2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
AAK1 Q2M2I8 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HIF1A Q16665 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
HTT P42858 1/20 0.40
GPX4 P36969 1/20 0.39

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
SCHEMBL3128380 0.78 KDM4E (0.50) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL3126018 0.78 DHFR (0.48) SMN1; SMN2NPC1ALDH1A1MAPTGAA
SCHEMBL2907654 0.77 RECQL (0.59) EGFRSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3121001 0.77 GPX4 (0.44) SMN1; SMN2TDP1ALDH1A1MAPTAAK1
SCHEMBL6110454 0.76 TDP1 (0.55) EGFRSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL3129552 0.76 GPX4 (0.43) SMN1; SMN2TDP1ALDH1A1MAPTAAK1
SCHEMBL6154003 0.76 HIF1A (0.64) EGFRALDH1A1GAAHPGDL3MBTL1
SCHEMBL16421384 0.74 IMPDH2 (0.56) AAK1IMPDH2IMPDH1
SCHEMBL8900844 0.73 TDP1 (0.52) EGFRSMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL3118081 0.73 PDE4B (0.41) ALDH1A1MAPTGAAKDM4EGPX4

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 4 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
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 EGFR 4663/4885SMN1; SMN2 3945/4885NPC1 3578/4885

“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.