SCHEMBL25899111

SCHEMBL25899111

COC(c1cccc(N)c1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.49
TDO2 P48775 6/20 0.49
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.34
AOC3 Q16853 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
GNRHR P30968 1/20 0.32

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
SCHEMBL31067420 0.77 IDO1 (0.42) IDO1TDO2CYP3A4ALDH1A1GAA
SCHEMBL17064312 0.77 IDO1 (0.42) IDO1TDO2CYP3A4ALDH1A1GAA
SCHEMBL29406997 0.70 CYP3A4 (0.48) CYP3A4ALDH1A1TP53CASP1RECQL
SCHEMBL1098188 0.70 CYP3A4 (0.48) CYP3A4ALDH1A1TP53CASP1RECQL
SCHEMBL11093862 0.69 IDO1 (0.46) IDO1TDO2CYP3A4GAACASP1
SCHEMBL9157662 0.69 CYP3A4 (0.47) CYP3A4ALDH1A1TP53AOC3CASP1
SCHEMBL20852303 0.69 CYP3A4 (0.47) CYP3A4ALDH1A1TP53AOC3CASP1
SCHEMBL28582936 0.69 CYP3A4 (0.47) CYP3A4ALDH1A1TP53AOC3CASP1
SCHEMBL11778315 0.68 IDO1 (0.53) IDO1TDO2CYP3A4ALDH1A1AOC3
SCHEMBL17064557 0.68 IDO1 (0.46) IDO1TDO2CYP3A4ALDH1A1

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-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 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-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 IDO1 2690/4885TDO2 4283/4885CYP3A4 1603/4885

“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.