SCHEMBL21841333

SCHEMBL21841333

C[C@@H]1[C@H](O)CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.45
▸ BRAF P15056 1/20 0.41
▸ CREBBP Q92793 3/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ FYN P06241 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CCR3 P51677 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 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
SCHEMBL19670323 0.94 RHOA (0.44) RHOABRAFCREBBPBRD4FYN
SCHEMBL19365667 0.91 RHOA (0.43) RHOABRAFCREBBPBRD4FYN
SCHEMBL19865057 0.88 RHOA (0.41) RHOABRAFCREBBPBRD4FYN
SCHEMBL16249975 0.84 RHOA (0.48) RHOABRAFCREBBPBRD4FYN
SCHEMBL19670564 0.83 RHOA (0.46) RHOABRAFCREBBPBRD4FYN
SCHEMBL19865030 0.83 DYRK1A (0.40) RHOABRAF
SCHEMBL19670212 0.83 RHOA (0.45) RHOABRAFCREBBPBRD4FYN
SCHEMBL19706028 0.83 RHOA (0.36) RHOABRAFFYNMAPT
SCHEMBL19865069 0.83 RHOA (0.48) RHOABRAFCREBBPBRD4FYN
SCHEMBL16238774 0.83 RHOA (0.45) RHOABRAFCREBBPBRD4FYN

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — 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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885CREBBP 528/4885

“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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