SCHEMBL3308582

SCHEMBL3308582

COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3cccc(OC)c3OC)C2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.83
ALDH1A1 P00352 6/20 0.83
MAPT P10636 6/20 0.83
MEN1 O00255 5/20 0.83
POLB P06746 3/20 0.74
LMNA P02545 3/20 0.74
MAOA P21397 2/20 0.56
HTT P42858 2/20 0.54
RECQL P46063 1/20 0.53
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL3314479 0.92 MEN1 (0.81) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL3316280 0.92 KMT2A (0.71) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL23052565 0.91 MAPT (1.00) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL23052350 0.89 KMT2A (0.85) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL23052352 0.89 KMT2A (0.85) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL23052355 0.88 KMT2A (0.86) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL3315214 0.88 KDM4E (0.66) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL3312505 0.87 KMT2A (0.63) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL3314124 0.87 KMT2A (0.71) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL28674208 0.86 MAOA (0.63) KMT2AALDH1A1MAPTMEN1POLB

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
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 WO 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
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 KMT2A 2514/4885ALDH1A1 576/4885MAPT 4438/4885

“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.