SCHEMBL12313633

SCHEMBL12313633

CCCSCCc1nccc(CC)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL12312201 0.87 KCNH2 (0.30) NOS3NOS1NOS2
SCHEMBL18998989 0.83
SCHEMBL16248159 0.82 KDM4E (0.37) NOS3NOS1NOS2
SCHEMBL830187 0.76 CYP1A2 (0.37) NOS3NOS1NOS2
SCHEMBL25987002 0.74 SORD (0.47)
Ammonia Solution, Strong SCHEMBL28652832 0.74 CYP1A2 (0.36) NOS3NOS1NOS2
SCHEMBL12656586 0.74 KCNH2 (0.48) NOS1NOS2
SCHEMBL12314661 0.72 NOS3 (0.47) NOS3NOS1NOS2
SCHEMBL27592765 0.72 KDM4E (0.42) NOS3NOS1NOS2
Ammonia Solution, Strong SCHEMBL11451734 0.72 CYP1A2 (0.35) NOS3NOS1NOS2

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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 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 (3 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B NOS3 2604/4885NOS1 3975/4885NOS2 3709/4885
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B NOS3 2604/4885NOS1 3975/4885NOS2 3709/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 NOS3 4257/4885NOS1 4137/4885NOS2 4023/4885

“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.