SCHEMBL19865020

SCHEMBL19865020

CCN1CCCN(C(=O)Nc2cc(C#CCNC(=O)OC(C)(C)C)cc(-c3cnco3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.34
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ RAF1 P04049 3/20 0.31
▸ BRAF P15056 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SAE1 Q9UBE0 1/20 0.31
▸ UBA2 Q9UBT2 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ PTPRB P23467 1/20 0.30

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
SCHEMBL19670151 0.93 RHOA (0.35) RHOACA2CA9ADRA2ADRD5
SCHEMBL19365224 0.91 RHOA (0.35) RHOACA2CA9HTR2CRAF1
SCHEMBL19365614 0.90 RHOA (0.35) RHOACA2CA9ADRA2ADRD5
SCHEMBL17624671 0.84 RHOA (0.38) RHOACA2CA9ADRA2ADRD5
SCHEMBL16785596 0.83 RHOA (0.37) RHOACA2CA9ADRA2ADRD5
SCHEMBL19670152 0.83 RHOA (0.36) RHOACA2CA9HTR2CBRAF
SCHEMBL19705996 0.83 RHOA (0.33) RHOACA2CA9ADRA2ADRD5
SCHEMBL19670366 0.80 NAMPT (0.42) CA2CA9RAF1BRAFMAPT
SCHEMBL19706159 0.80 RHOA (0.36) RHOACA2CA9RAF1BRAF
SCHEMBL20632034 0.79 RHOA (0.41) RHOACA2CA9HTR2CBRAF

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4858/4885CA2 4636/4885CA9 4430/4885

“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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