SCHEMBL3764443

SCHEMBL3764443

O=C(Nc1ccc(C(F)(F)F)cn1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 1.00
KCNK3 O14649 4/20 0.67
KCNK9 Q9NPC2 3/20 0.67
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
RXFP1 Q9HBX9 4/20 0.56
TRPV1 Q8NER1 1/20 0.55
PTGS1 P23219 3/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KIT P10721 1/20 0.52
KDR P35968 1/20 0.52
MAPK14 Q16539 1/20 0.52
F10 P00742 1/20 0.52
MAPT P10636 1/20 0.51
FGFR4 P22455 1/20 0.50
LMNA P02545 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
SCHEMBL3771680 0.89 PTGES (0.81) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3771077 0.88 PTGES (0.79) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3771368 0.88 PTGES (0.79) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3776618 0.88 PTGES (0.79) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3771936 0.88 PTGES (0.79) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3774227 0.88 PTGES (0.78) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3775385 0.86 PTGES (0.75) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3772376 0.83 PTGES (0.70) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3779837 0.82 PTGES (0.69) PTGESKCNK3KCNK9RXFP1PTGS1
SCHEMBL30643217 0.80 PTGS1 (0.74) PTGESKMT2ATRPV1PTGS1NPC1

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 3 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

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.