SCHEMBL3313082

SCHEMBL3313082

COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3cccc([N+](=O)[O-])c3)C2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.65
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.50
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
THRB P10828 1/20 0.47
PGR P06401 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3313102 0.94 MAOA (0.61) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3313161 0.87 MAOA (0.84) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3314136 0.87 MAOA (0.71) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3312412 0.86 MAOA (0.75) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3312424 0.83 MAOA (0.77) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3313038 0.82 RAB9A (0.74) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3316143 0.82 MAOA (0.69) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3312148 0.81 MAPT (0.74) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3316081 0.81 KMT2A (0.69) MAOAMEN1KMT2ALMNAALDH1A1
SCHEMBL3316302 0.80 MAOA (0.66) MAOAMEN1KMT2ALMNAALDH1A1

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 2 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

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 181/4885MEN1 4750/4885KMT2A 2514/4885

“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.