SCHEMBL16776296

SCHEMBL16776296

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.36
▸ KARS1 Q15046 2/20 0.35
▸ SLC5A1 P13866 7/20 0.35
▸ KMO O15229 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ ELANE P08246 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ JAK2 O60674 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
SCHEMBL16785527 0.90 MC4R (0.39) KARS1BRAFADORA2AFYN
SCHEMBL16776403 0.87 MTOR (0.35) BRAFBRD4CREBBPADORA2A
SCHEMBL16776420 0.87 PIM1 (0.34) SLC5A1BRAFBRD4CREBBPADORA2A
SCHEMBL16785530 0.86 KARS1 (0.38) KARS1SLC5A1KMOBRAFADORA2A
SCHEMBL16776282 0.86 RHOA (0.38) RHOASLC5A1BRAFBRD4CREBBP
SCHEMBL16776368 0.86 RHOA (0.36) RHOASLC5A1BRAFBRD4CREBBP
SCHEMBL16785582 0.85 ADORA2A (0.37) KARS1SLC5A1KMOBRAFADORA2A
SCHEMBL16776422 0.85 CREBBP (0.40) RHOASLC5A1BRAFBRD4CREBBP
SCHEMBL16785531 0.85 KARS1 (0.36) KARS1SLC5A1KMOADORA2AFYN
SCHEMBL16785528 0.84 KIF18A (0.38) KARS1SLC5A1KMOADORA2AKDM1A

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 RHOA 4798/4885KARS1 1760/4885SLC5A1 1202/4885

“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.

Send feedback