SCHEMBL16776433

SCHEMBL16776433

CC(C)(C)CC(=O)NCC#Cc1ccc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1-c1cnco1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.34
▸ BRAF P15056 9/20 0.32
▸ RAF1 P04049 8/20 0.32
▸ ELANE P08246 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ IMPDH2 P12268 1/20 0.31
▸ IMPDH1 P20839 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
SCHEMBL16776431 0.88 RHOA (0.32) RHOABRAFRAF1ELANECA2
SCHEMBL16776430 0.85 CA2 (0.32) BRAFRAF1CA2CA9
SCHEMBL16775875 0.82 RHOA (0.46) RHOABRAFRAF1CA2CA9
SCHEMBL16776441 0.82 BRAF (0.36) BRAFRAF1CA2CA9
SCHEMBL16776442 0.78 CA2 (0.36) BRAFRAF1CA2CA9
SCHEMBL16776322 0.78 NPC1 (0.44) BRAFRAF1CA2CA9KIT
SCHEMBL16776298 0.77 RHOA (0.39) RHOABRAFCA2CA9
SCHEMBL16776297 0.77 RHOA (0.37) RHOABRAFELANECA2CA9
SCHEMBL16776443 0.75 RHOA (0.36) RHOABRAFRAF1CA2CA9
SCHEMBL16775829 0.75 CA2 (0.41) BRAFRAF1CA2CA9KIT

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 RHOA 4798/4885BRAF 3419/4885RAF1 2875/4885

“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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