SCHEMBL6661491

SCHEMBL6661491

COc1ccc(C2=NN(Cc3ccc(NC(=O)c4cccs4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 7/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
BLM P54132 1/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
TP53 P04637 5/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PDE4B Q07343 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 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
SCHEMBL6659758 0.92 KMT2A (0.51) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL6842206 0.92 KMT2A (0.51) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL6842476 0.87 KMT2A (0.54) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL6653389 0.87 PDE4B (0.63) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL6656627 0.86 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL6844123 0.86 PDE4B (0.47) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL6684268 0.86 LMNA (0.53) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL6661559 0.85 TSHR (0.56) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL6659876 0.85 SMN1; SMN2 (0.54) MAPTRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL6655450 0.84 PDE4B (0.45) MAPTALDH1A1HPGDKDM4ESMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B KMT2A 3056/4885MAPT 3595/4885MEN1 370/4885

“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.