SCHEMBL16489286

SCHEMBL16489286

C/C(N)=N/c1ccc(C(C)(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.76
SLC22A1 O15245 1/20 0.76
SLC22A3 O75751 1/20 0.76
NOS1 P29475 13/20 0.65
NOS3 P29474 13/20 0.65
NOS2 P35228 4/20 0.65
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50

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
SCHEMBL6858736 0.86 SLC22A2 (1.00) SLC22A2SLC22A1SLC22A3PRSS1ACR
SCHEMBL19038559 0.79 SLC22A2 (0.71) SLC22A2SLC22A1SLC22A3PRSS1ACR
SCHEMBL4983449 0.77 SIGMAR1 (0.66) SLC22A2SLC22A1SLC22A3
SCHEMBL4980439 0.75 SLC22A2 (0.59) SLC22A2SLC22A1SLC22A3NOS1NOS3
SCHEMBL12974549 0.74 SLC22A2 (0.53) SLC22A2SLC22A1SLC22A3NOS1NOS3
SCHEMBL6183452 0.72 SLC22A2 (0.57) SLC22A2SLC22A1SLC22A3PRSS1ACR
SCHEMBL742186 0.72 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3
SCHEMBL25564920 0.72 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3
SCHEMBL28652450 0.72 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3
SCHEMBL13632763 0.72 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266828-B2 Inhibitors of Furin and other pro-protein convertases SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-02-23 US disclosed
US-20150073054-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2015-03-12 US disclosed
US-20150051138-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-02-19 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 (2 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-20150051138-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES FURIN, PREP, PCSK6 SLC22A2 4358/4885SLC22A1 4121/4885SLC22A3 4027/4885
US-20150073054-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES FURIN, PREP, PCSK6 SLC22A2 4358/4885SLC22A1 4121/4885SLC22A3 4027/4885

“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.