SCHEMBL17679308

SCHEMBL17679308

Brc1cccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 1.00
NPSR1 Q6W5P4 4/20 0.65
GAA P10253 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
VCP P55072 7/20 0.64
PTK2 Q05397 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL16409978 0.88 SIRT2 (1.00) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL16409979 0.84 SIRT2 (0.73) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL28043757 0.83 SIRT2 (0.71) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL28043513 0.81 SIRT2 (0.84) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL28043510 0.81 SIRT2 (0.71) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL31160437 0.78 SIRT2 (0.64) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL28043514 0.78 SIRT2 (0.80) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL16409996 0.76 SIRT2 (1.00) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL6404280 0.76 SIRT2 (0.72) SIRT2NPSR1GAAMEN1KMT2A
SCHEMBL31160391 0.75 SIRT2 (0.60) SIRT2NPSR1GAAPTK2SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737525-B2 Small molecule activators of NRF2 pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-22 US disclosed
US-9737525-B2 Small molecule activators of NRF2 pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-22 US disclosed
US-20160101098-A1 SMALL MOLECULE ACTIVATORS OF NRF2 PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-14 US disclosed
US-20160101098-A1 SMALL MOLECULE ACTIVATORS OF NRF2 PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-14 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-20160101098-A1 SMALL MOLECULE ACTIVATORS OF NRF2 PATHWAY KEAP1, NFE2L2, GSTK1 SIRT2 287/4885NPSR1 3007/4885GAA 1134/4885

“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.