SCHEMBL16776455

SCHEMBL16776455

CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.43
▸ PTPRB P23467 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ RORC P51449 2/20 0.37
▸ PPARA Q07869 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL16776180 0.98 NAMPT (0.42) NAMPTPTPRBCA2CA9ROCK2
SCHEMBL16776165 0.87 CA2 (0.43) CA2CA9TDP1KDM4EFAAH
SCHEMBL19670371 0.86 NAMPT (0.44) NAMPTPTPRBCA2CA9ROCK2
SCHEMBL16776447 0.85 CA2 (0.41) PTPRBCA2CA9TDP1ELANE
SCHEMBL19699078 0.85 NAMPT (0.42) NAMPTPTPRBCA2CA9ROCK2
SCHEMBL19670366 0.85 NAMPT (0.42) NAMPTPTPRBCA2CA9ROCK2
SCHEMBL16776179 0.84 CA2 (0.45) CA2CA9TDP1HDAC1KDM4E
SCHEMBL16776364 0.83 CA2 (0.43) CA2CA9RORCLMNAGAA
SCHEMBL16776302 0.83 POLB (0.43) KDM4EFAAHPOLBLMNASMN1; SMN2
SCHEMBL16776322 0.83 NPC1 (0.44) CA2CA9MAPTLMNAGAA

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 NAMPT 74/4885PTPRB 4509/4885CA2 4253/4885

“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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