SCHEMBL3314136

SCHEMBL3314136

COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3ccc(OC)c(OC)c3)C2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.71
KDM4E B2RXH2 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 2/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
PTGS2 P35354 2/20 0.54
MAPT P10636 2/20 0.53
RECQL P46063 1/20 0.53
ACHE P22303 4/20 0.53
PSMD14 O00487 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3312412 0.97 MAOA (0.75) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3313038 0.93 RAB9A (0.74) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3316143 0.92 MAOA (0.69) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3312424 0.92 MAOA (0.77) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3313161 0.92 MAOA (0.84) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3316302 0.90 MAOA (0.66) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3315355 0.90 MAOA (0.67) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3313082 0.87 MAOA (0.65) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3316081 0.87 KMT2A (0.69) MAOAKDM4ENPC1RAB9AKMT2A
SCHEMBL3314237 0.86 MAOA (0.61) MAOAKDM4ENPC1RAB9AKMT2A

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
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C MAOA 181/4885KDM4E 332/4885NPC1 4138/4885

“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.