SCHEMBL6112296

SCHEMBL6112296

CCCCOc1c(C(C)NC(=O)OCC2c3ccccc3-c3ccccc32)n(CC(C)C)c(=O)c2ccc(-c3nc(C(=O)OCC)cs3)cc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
CLK1 P49759 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MDM2 Q00987 2/20 0.33
GAA P10253 1/20 0.33
SHMT2 P34897 1/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
P2RY12 Q9H244 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR2 O60603 3/20 0.32
CTSK P43235 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL5321491 0.89 RAB9A (0.34) RAB9ANPC1CLK1MEN1KMT2A
SCHEMBL6112299 0.88 RAB9A (0.33) RAB9ANPC1CLK1MEN1KMT2A
SCHEMBL27599399 0.82 ACHE (0.34) KMT2AMDM2MDM4TP53P2RY12
SCHEMBL5317843 0.80 DPP4 (0.39)
SCHEMBL5234053 0.78 LMNA (0.34) MEN1KMT2AMDM2MDM4TP53
SCHEMBL299730 0.78 DPP4 (0.44) RAB9ANPC1CLK1GAANPSR1
Hydrochloric Acid SCHEMBL5235399 0.77 DPP4 (0.43) RAB9ANPC1CLK1GAANPSR1
SCHEMBL5236366 0.75 ABCB1 (0.38) RAB9ANPC1CLK1GAAHTT
SCHEMBL27582057 0.73 DPP4 (0.42)
SCHEMBL5238512 0.73 DPP4 (0.34) P2RY12HTTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 RAB9A 3400/4885NPC1 2372/4885CLK1 2176/4885

“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.