SCHEMBL16776444

SCHEMBL16776444

CCCCc1cc(CC(=O)N2CCCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C2=CC=CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CASP6 P55212 1/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ CPT1B Q92523 1/20 0.32
▸ CTSK P43235 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ACP1 P24666 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ORAI1 Q96D31 1/20 0.31
▸ BRS3 P32247 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
SCHEMBL16776439 0.79 CA2 (0.36) CASP6
SCHEMBL16776443 0.76 RHOA (0.36) CASP6CNR2SLC5A1TRPV1
SCHEMBL16776442 0.72 CA2 (0.36) —
SCHEMBL16776305 0.72 ASAH1 (0.41) CNR2KMOCTSKKCNH2ACP1
SCHEMBL16785655 0.72 ORAI1 (0.35) MEN1KMT2ACNR2KMOCPT2
SCHEMBL16776303 0.71 ASAH1 (0.44) CNR2KMOACP1
SCHEMBL16776337 0.71 EPHB4 (0.39) KMOCPT2CPT1ACPT1BCTSK
SCHEMBL16776165 0.71 CA2 (0.43) KMT2AKMOJAK2
SCHEMBL16776179 0.71 CA2 (0.45) MEN1KMT2AKMOJAK2
SCHEMBL16776456 0.71 ORAI1 (0.34) MEN1KMT2ACPT2CPT1ACPT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885CASP6 597/4885

“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.

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