SCHEMBL2902820

SCHEMBL2902820

COc1ccc([N+]2(C3CCCN(S(C)(=O)=O)C3)C=C(CN)C=CC2)nc1OC1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4B Q07343 6/20 0.32
PDE4D Q08499 8/20 0.32
PDE4A P27815 5/20 0.31
PDE4C Q08493 5/20 0.31
PIK3CD O00329 5/20 0.31
PIK3R1 P27986 5/20 0.31
PIK3CA P42336 5/20 0.31
PIK3CB P42338 2/20 0.31
SOS1 Q07889 1/20 0.31

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
SCHEMBL2908814 1.00 KMT2A (0.34) KMT2AALDH1A1LMNATP53HSD17B10
SCHEMBL2908562 0.91 ADORA2A (0.36) KMT2AALDH1A1LMNAPDE4BPDE4D
SCHEMBL2910476 0.91 ADORA2A (0.36) KMT2AALDH1A1LMNAPDE4BPDE4D
SCHEMBL2906081 0.87 PDE4D (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL2901991 0.87 PDE4D (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL2906140 0.83 TP53 (0.35) KMT2AALDH1A1LMNATP53PDE4B
SCHEMBL2909267 0.83 TP53 (0.35) KMT2AALDH1A1LMNATP53PDE4B
SCHEMBL2908191 0.76 PDE4D (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL2909252 0.76 PDE4D (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL2908860 0.72 PDE4D (0.34) PDE4BPDE4DPDE4APDE4C

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 claimed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US claimed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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 (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 KMT2A 1702/4885ALDH1A1 300/4885LMNA 2705/4885

“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.