SCHEMBL16776202

SCHEMBL16776202

O=C(Nc1cncc(F)c1)N1CCCNS(=O)(=O)c2ccc(N3CC[C@H](F)C3)nc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.34
▸ ABL1 P00519 11/20 0.32
▸ KLKB1 P03952 1/20 0.31
▸ KLK1 P06870 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ HTR1F P30939 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNA1I Q9P0X4 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16238778 0.76 ADORA2A (0.33) DGAT2ABL1ADORA2BADORA2AGSK3B
SCHEMBL16238775 0.76 ADORA2A (0.33) DGAT2ABL1ADORA2BADORA2AGSK3B
SCHEMBL16776196 0.76 CA2 (0.37) —
SCHEMBL16785631 0.75 TRPV3 (0.39) DGAT2ABL1KMT2A
SCHEMBL19365870 0.75 HTR1F (0.33) DGAT2ABL1ADORA2BADORA2AGSK3B
SCHEMBL19706091 0.73 ADORA2A (0.32) ABL1ADORA2BADORA2AHTR1FCACNA1G
SCHEMBL16785571 0.73 TRPV3 (0.39) DGAT2ABL1KMT2A
SCHEMBL19365789 0.71 KARS1 (0.35) ABL1KLKB1KLK1DYRK1AKMT2A
SCHEMBL19365330 0.71 KARS1 (0.35) ABL1KLKB1KLK1DYRK1AKMT2A
SCHEMBL16776147 0.69 KARS1 (0.35) ABL1DYRK1A

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 DGAT2 1047/4885ABL1 4089/4885KLKB1 2174/4885

“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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