SCHEMBL2940200

SCHEMBL2940200

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 7/20 0.40
MAPT P10636 7/20 0.40
KDM4E B2RXH2 5/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CFTR P13569 1/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LCK P06239 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
BCL2 P10415 1/20 0.37
BECN1 Q14457 1/20 0.37
POLB P06746 1/20 0.37

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 0.85 CFTR (0.40) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL2940199 0.83 CFTR (0.38) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL2940202 0.83 CFTR (0.38) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL2944375 0.75 KDM4D (0.40) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL13846468 0.74 NPC1 (0.37) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL2926337 0.68 LCK (0.39) MAPTLCKMAPK1
SCHEMBL13846352 0.67 LCK (0.39) MAPTLCK
SCHEMBL2910691 0.67 LCK (0.40) RAB9AMAPTLCKGAA
SCHEMBL19630784 0.67 LCK (0.51) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL31420279 0.66 USP30 (0.45) NPC1RAB9AMAPTKDM4ETP53

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-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS 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 NPC1 4463/4885RAB9A 2480/4885MAPT 4489/4885

“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.