SCHEMBL16776457

SCHEMBL16776457

CC(C)(C)CC(=O)NCc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncc2)CCCN3)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 8/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ROCK2 O75116 5/20 0.36
▸ ROCK1 Q13464 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ FAAH O00519 1/20 0.33
▸ AURKA O14965 1/20 0.33

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
SCHEMBL16776454 0.85 HTR1A (0.34) WDR5LMNAFAAH
SCHEMBL16776144 0.80 KMT2A (0.44) LMNAALDH1A1RAB9ASMN1; SMN2FAAH
SCHEMBL16775920 0.80 FAAH (0.41) LMNAROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16776476 0.77 CA2 (0.43) NPC1
SCHEMBL16785535 0.76 EPHX2 (0.38) LMNAFAAH
SCHEMBL16776455 0.76 NAMPT (0.43) LMNAROCK2KDM4EALDH1A1GAA
SCHEMBL16785533 0.75 CA2 (0.37) FAAH
SCHEMBL16776165 0.75 CA2 (0.43) LMNAKDM4ENPC1ALDH1A1GAA
SCHEMBL16776180 0.74 NAMPT (0.42) LMNAROCK2KDM4EFAAH
SCHEMBL16776302 0.73 POLB (0.43) LMNAKDM4ENPC1ALDH1A1SMN1; SMN2

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 WDR5 403/4885LMNA 3617/4885ROCK2 3343/4885

“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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