SCHEMBL6423949

SCHEMBL6423949

CCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4ccccc43)CC2C)cc1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MCL1 Q07820 1/20 0.45
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL6420280 0.96 PDE4A (0.52) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6419674 0.88 PDE4A (0.59) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6419351 0.86 MCL1 (0.58) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6419430 0.83 MCL1 (0.61) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6421828 0.81 MCL1 (0.52) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6419337 0.80 MCL1 (0.52) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6420089 0.80 PTGDR2 (0.48) KMT2AMCL1MEN1ALOX15NPSR1
SCHEMBL6418749 0.80 MCL1 (0.51) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6420169 0.79 MCL1 (0.42) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6420227 0.78 MCL1 (0.45) KMT2APDE4APDE4BPDE4CPDE4D

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-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 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-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 KMT2A 4617/4885PDE4A 1805/4885PDE4B 2480/4885

“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.