SCHEMBL3314788

SCHEMBL3314788

COc1ccc(OC)c(C2CC(c3ccc(OC)c(OC)c3)=NN2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.73
MAPT P10636 5/20 0.64
KMT2A Q03164 7/20 0.61
MEN1 O00255 5/20 0.61
RECQL P46063 1/20 0.61
ALDH1A1 P00352 4/20 0.60
POLB P06746 4/20 0.60
RAB9A P51151 3/20 0.59
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 2/20 0.59
MAOA P21397 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
HTT P42858 1/20 0.53
ATM Q13315 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ACHE P22303 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL3314237 0.91 MAOA (0.61) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3316280 0.91 KMT2A (0.71) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3312148 0.86 MAPT (0.74) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3312505 0.86 KMT2A (0.63) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3314124 0.86 KMT2A (0.71) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3316302 0.85 MAOA (0.66) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3308582 0.85 KMT2A (0.83) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3316081 0.84 KMT2A (0.69) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL28674208 0.83 MAOA (0.63) LMNAMAPTKMT2AMEN1RECQL
SCHEMBL3312424 0.83 MAOA (0.77) LMNAMAPTKMT2AMEN1RECQL

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 LMNA 3697/4885MAPT 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.