SCHEMBL3769561

SCHEMBL3769561

O=C(Nc1cccc(CNCc2ccccc2C(F)(F)F)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.59
KCNK9 Q9NPC2 3/20 0.59
PTGS1 P23219 1/20 0.59
SLC1A3 P43003 1/20 0.58
SLC1A2 P43004 1/20 0.58
SLC1A1 P43005 1/20 0.58
F2R P25116 1/20 0.57
RXFP1 Q9HBX9 3/20 0.55
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
PTGES O14684 7/20 0.53
ACKR3 P25106 1/20 0.51
PTPRC P08575 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3782432 0.83 KCNK3 (0.67) KCNK3KCNK9PTGS1SLC1A3SLC1A2
SCHEMBL23367946 0.82 F2R (0.70) KCNK3KCNK9PTGS1SLC1A3SLC1A2
SCHEMBL3766559 0.81 KCNK3 (0.66) KCNK3KCNK9PTGS1F2RRXFP1
SCHEMBL12962945 0.79 F2R (0.62) KCNK3KCNK9PTGS1SLC1A3SLC1A2
SCHEMBL23367911 0.79 F2R (0.62) KCNK3KCNK9PTGS1SLC1A3SLC1A2
SCHEMBL3767067 0.77 KCNK3 (0.70) KCNK3KCNK9PTGS1SLC1A3SLC1A2
SCHEMBL3772889 0.75 KCNK3 (0.67) KCNK3KCNK9PTGS1SLC1A3SLC1A2
SCHEMBL5332281 0.75 KCNK3 (0.75) KCNK3KCNK9PTGS1F2RRXFP1
SCHEMBL3780032 0.75 KCNK3 (0.60) KCNK3KCNK9PTGS1SLC1A3SLC1A2
SCHEMBL3775381 0.75 KCNK3 (0.63) KCNK3KCNK9PTGS1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 KCNK3 1692/4885KCNK9 1283/4885PTGS1 17/4885

“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.