SCHEMBL23771920

SCHEMBL23771920

CCOC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
SLC5A1 P13866 6/20 0.53
SLC5A2 P31639 6/20 0.53
TP53 P04637 2/20 0.52
ALOX12 P18054 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.48
MET P08581 2/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP19A1 P11511 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL28180133 0.88 SLC5A1 (0.67) NPSR1SLC5A1SLC5A2TP53ALOX12
SCHEMBL25767433 0.85 TP53 (0.67) NPSR1SLC5A1SLC5A2TP53ALOX12
SCHEMBL23153554 0.84 TP53 (0.70) SLC5A1SLC5A2TP53ALOX12ALDH1A1
SCHEMBL3457023 0.81 SLC5A1 (0.59) NPSR1SLC5A1SLC5A2TP53ALOX12
SCHEMBL23130794 0.81 MET (0.47) ALDH1A1MAPTMETPOLBSMN1; SMN2
SCHEMBL38652895 0.81 SLC5A1 (0.60) NPSR1SLC5A1SLC5A2TP53ALOX12
SCHEMBL3455812 0.79 NPSR1 (0.55) NPSR1SLC5A1SLC5A2TP53ALOX12
SCHEMBL24804947 0.79 HPGD (0.64) NPSR1TP53ALDH1A1MAPTPOLB
SCHEMBL30142178 0.79 SLC5A1 (0.45) NPSR1SLC5A1SLC5A2TP53ALOX12
SCHEMBL24759775 0.79 SLC5A1 (0.45) NPSR1SLC5A1SLC5A2TP53ALOX12

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-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 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-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX NPSR1 3246/4885SLC5A1 2822/4885SLC5A2 2525/4885

“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.