SCHEMBL3313161

SCHEMBL3313161

COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3ccccc3)C2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.84
MAPT P10636 4/20 0.66
KMT2A Q03164 7/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.62
KDM4E B2RXH2 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
RECQL P46063 1/20 0.60
PGR P06401 1/20 0.59
HTT P42858 1/20 0.56
PSMD14 O00487 1/20 0.53
PIK3R1 P27986 1/20 0.53
PIK3CA P42336 1/20 0.53
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
GAA P10253 1/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL3312424 0.96 MAOA (0.77) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3312412 0.95 MAOA (0.75) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3312148 0.94 MAPT (0.74) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3314136 0.92 MAOA (0.71) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3313038 0.91 RAB9A (0.74) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3316143 0.90 MAOA (0.69) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3316081 0.89 KMT2A (0.69) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3316302 0.89 MAOA (0.66) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3315355 0.88 MAOA (0.67) MAOAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3313082 0.87 MAOA (0.65) MAOAMAPTKMT2AMEN1ALDH1A1

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 181/4885MAPT 4438/4885KMT2A 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.