SCHEMBL24307459

SCHEMBL24307459

CC(C)(C)C1=NC2CCCCC2=C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
TLR4 O00206 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
SCHEMBL24307650 0.75 NOS2 (0.34) NOS1NOS2TLR4
SCHEMBL24307625 0.70 NOS1 (0.33) NOS1NOS2TLR4
SCHEMBL20687433 0.69 NOS1 (0.33) NOS1NOS2TLR4
SCHEMBL24307655 0.67
SCHEMBL455257 0.63 KDM1A (0.33)
SCHEMBL4774055 0.60 NOS1 (0.33) NOS1NOS2
SCHEMBL7622328 0.59 KDM1A (0.40)
SCHEMBL2505613 0.56 NOS1 (0.32) NOS1NOS2
SCHEMBL2505604 0.55 KDM1A (0.39) NOS1NOS2
SCHEMBL447339 0.55 NOS1 (0.31) NOS1NOS2

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-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
WO-2022043465-A1 INHIBITORS OF NO PRODUCTION MAX DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-03-03 WO 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-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885TLR4 1000/4885

“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.