SCHEMBL3772247

SCHEMBL3772247

Cc1nc(NC(=O)c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)ccc1Br

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.66
KCNK3 O14649 3/20 0.65
KCNK9 Q9NPC2 3/20 0.65
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
PTGS1 P23219 1/20 0.53
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
HSD17B10 Q99714 1/20 0.51
F2R P25116 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 3/20 0.49
PTPRC P08575 1/20 0.47

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
SCHEMBL3778087 0.82 KCNK3 (0.69) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3771368 0.82 PTGES (0.79) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3776618 0.82 PTGES (0.79) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3779837 0.82 PTGES (0.69) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3782416 0.80 PTGES (0.66) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3771680 0.79 PTGES (0.81) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3764443 0.79 PTGES (1.00) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3771936 0.78 PTGES (0.79) PTGESKCNK3KCNK9PTGS1KMT2A
SCHEMBL3766238 0.78 KCNK3 (0.63) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3771077 0.78 PTGES (0.79) PTGESKCNK3KCNK9NPC1RAB9A

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 2 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
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 PTGES 54/4885KCNK3 1692/4885KCNK9 1283/4885

“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.