SCHEMBL3778087

SCHEMBL3778087

Cc1cc(C)nc(NC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.69
KCNK9 Q9NPC2 5/20 0.69
PTGES O14684 1/20 0.64
PTGS1 P23219 1/20 0.54
F2R P25116 1/20 0.52
RXFP1 Q9HBX9 3/20 0.51
SORT1 Q99523 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GBA1 P04062 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM5 P41594 1/20 0.48

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
SCHEMBL3771368 0.83 PTGES (0.79) KCNK3KCNK9PTGESPTGS1F2R
SCHEMBL3772247 0.82 PTGES (0.66) KCNK3KCNK9PTGESPTGS1F2R
SCHEMBL3779837 0.81 PTGES (0.69) KCNK3KCNK9PTGESPTGS1F2R
SCHEMBL3782416 0.78 PTGES (0.66) KCNK3KCNK9PTGESPTGS1F2R
SCHEMBL12764065 0.78 KCNK3 (0.83) KCNK3KCNK9PTGESPTGS1F2R
SCHEMBL30416485 0.78 SORT1 (0.72) SORT1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3764443 0.78 PTGES (1.00) KCNK3KCNK9PTGESPTGS1RXFP1
SCHEMBL3771680 0.78 PTGES (0.81) KCNK3KCNK9PTGESPTGS1F2R
SCHEMBL3771936 0.77 PTGES (0.79) KCNK3KCNK9PTGESPTGS1F2R
SCHEMBL3776618 0.77 PTGES (0.79) KCNK3KCNK9PTGESPTGS1F2R

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 KCNK3 1692/4885KCNK9 1283/4885PTGES 54/4885

“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.