SCHEMBL3312148

SCHEMBL3312148

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

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
MAOA P21397 5/20 0.73
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
RECQL P46063 1/20 0.67
KDM4E B2RXH2 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
LMNA P02545 2/20 0.61
PGR P06401 1/20 0.61
ALDH1A1 P00352 4/20 0.60
POLB P06746 2/20 0.57
PIK3R1 P27986 1/20 0.54
PIK3CA P42336 1/20 0.54
MAOB P27338 3/20 0.53
HTT P42858 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
SCHEMBL3316302 0.94 MAOA (0.66) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL3312424 0.94 MAOA (0.77) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL3313161 0.94 MAOA (0.84) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL3319382 0.93 MAOA (0.65) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL28674208 0.92 MAOA (0.63) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL3316280 0.89 KMT2A (0.71) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL3312412 0.88 MAOA (0.75) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL3313102 0.88 MAOA (0.61) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL23052546 0.86 KMT2A (0.64) MAPTMAOAKMT2AMEN1RECQL
SCHEMBL3312505 0.86 KMT2A (0.63) MAPTMAOAKMT2AMEN1RECQL

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 3 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

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 MAPT 4438/4885MAOA 181/4885KMT2A 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.