SCHEMBL2940202

SCHEMBL2940202

CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4c(c3)OCO4)cc(CC(O)c3ccc(F)cc3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
NPC1 O15118 6/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
KDM4D Q6B0I6 1/20 0.38
MAPT P10636 5/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 5/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LCK P06239 1/20 0.36
SCD5 Q86SK9 1/20 0.36
BCL2 P10415 1/20 0.35

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
SCHEMBL8077962 0.88 CFTR (0.40) CFTRNPC1ALDH1A1KDM4EHPGD
SCHEMBL2940199 0.86 CFTR (0.38) CFTRNPC1ALDH1A1KDM4EHPGD
SCHEMBL2940200 0.83 NPC1 (0.40) CFTRNPC1ALDH1A1KDM4EHPGD
SCHEMBL2944375 0.77 KDM4D (0.40) NPC1ALDH1A1KDM4EHPGDKDM4D
SCHEMBL13846468 0.76 NPC1 (0.37) NPC1ALDH1A1KDM4EHPGDMAPT
SCHEMBL2910691 0.71 LCK (0.40) MAPTRAB9ALCKKMT2A
SCHEMBL13846352 0.71 LCK (0.39) MAPTLCKKMT2A
SCHEMBL2926337 0.71 LCK (0.39) MAPTLCKAKR1C3AKR1C2
SCHEMBL2915053 0.69 MAPT (0.41) NPC1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13846345 0.69 LCK (0.44) ALDH1A1LCKKMT2A

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
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 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-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A CFTR 1457/4885NPC1 4463/4885ALDH1A1 330/4885

“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.