SCHEMBL19738701

SCHEMBL19738701

CCCCCCCC(C)(CC)n1cccn1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.36
TBXAS1 P24557 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL18557133 0.93 NOS1 (0.37) NOS1TBXAS1HSP90AA1
SCHEMBL19250952 0.93 NOS1 (0.37) NOS1TBXAS1HSP90AA1
SCHEMBL19918764 0.93 NOS1 (0.37) NOS1TBXAS1HSP90AA1
SCHEMBL25523336 0.93 NOS1 (0.37) NOS1TBXAS1HSP90AA1
SCHEMBL22856659 0.90 NOS1 (0.36) NOS1TBXAS1HSP90AA1
SCHEMBL15979329 0.86 NOS1 (0.32) NOS1
SCHEMBL25144417 0.83 NOS1 (0.37) NOS1TBXAS1HSP90AA1
SCHEMBL21191569 0.83 NOS1 (0.37) NOS1TBXAS1HSP90AA1
SCHEMBL12115800 0.82 KCNN4 (0.33) NOS1
SCHEMBL2404365 0.79 NOS1 (0.39) NOS1TBXAS1HSP90AA1

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-10336735-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 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-10336735-B2 Small molecule inhibitors of fibrosis MMP1, COL2A1, MMP8 NOS1 747/4885TBXAS1 1166/4885HSP90AA1 206/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 NOS1 747/4885TBXAS1 1166/4885HSP90AA1 206/4885

“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.