SCHEMBL6653516

SCHEMBL6653516

CCC1OC(=O)N(Cc2ccccc2NC(=O)c2cnccn2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GRM4 Q14833 1/20 0.42
POLB P06746 1/20 0.42
CCR5 P51681 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
PDE4A P27815 6/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6655758 0.92 PDE4D (0.48) KMT2AMEN1CCR5PDE4APDE4B
SCHEMBL6655421 0.92 SMN1; SMN2 (0.45) KMT2AMEN1GRM4SMN1; SMN2MAPT
SCHEMBL148131 0.89 AAK1 (0.49) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL6658381 0.88 NPC1 (0.47) KMT2AMEN1GRM4POLBCCR5
SCHEMBL6656311 0.88 MAPT (0.42) KMT2ASMN1; SMN2MAPTTP53PDE4A
SCHEMBL6687499 0.88 MAPT (0.43) POLBSMN1; SMN2MAPTPDE4APDE4B
SCHEMBL6653521 0.87 ACKR3 (0.44) KMT2AMEN1GRM4POLBSMN1; SMN2
SCHEMBL6687033 0.86 MAPT (0.42) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL6657517 0.86 SMN1; SMN2 (0.41) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL6685318 0.85 MAPT (0.41) SMN1; SMN2MAPTPDE4APDE4BPDE4C

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 3056/4885MEN1 370/4885GRM4 1965/4885

“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.