SCHEMBL24907112

SCHEMBL24907112

NCCCC1CCCOC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TLR7 Q9NYK1 1/20 0.32
PDE8B O95263 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8005026 1.00 SIGMAR1 (0.47) SIGMAR1NOS1NOS2TLR7PDE8B
SCHEMBL8217075 1.00 SIGMAR1 (0.47) SIGMAR1NOS1NOS2TLR7PDE8B
SCHEMBL20321802 0.87
SCHEMBL9309444 0.87
SCHEMBL5673317 0.87
SCHEMBL2198842 0.79 MEN1 (0.33) TLR7CYP1A2
SCHEMBL14864952 0.79 CYP1A2 (0.56) NOS1NOS2TLR7CYP1A2
SCHEMBL2198453 0.79 NAMPT (0.32) TLR7CYP1A2
SCHEMBL17308764 0.79 CYP1A2 (0.56) NOS1NOS2TLR7CYP1A2
SCHEMBL2225892 0.79 TLR7 (0.32) TLR7PDE8BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 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 (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-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, NPC1L1 SIGMAR1 1279/4885NOS1 3157/4885NOS2 4040/4885

“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.