SCHEMBL3779837

SCHEMBL3779837

O=C(Nc1ccc2ccccc2n1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.69
KCNK3 O14649 3/20 0.65
KCNK9 Q9NPC2 3/20 0.65
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
PTGS1 P23219 1/20 0.56
RXFP1 Q9HBX9 3/20 0.52
F2R P25116 1/20 0.51
MTOR P42345 1/20 0.49
CNR2 P34972 1/20 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
SCHEMBL3775369 0.87 KCNK3 (0.64) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3770483 0.87 KMT2A (0.62) PTGESNPC1RAB9AMTOR
SCHEMBL3782416 0.86 PTGES (0.66) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3767063 0.86 RHOC (0.63) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3764441 0.85 RAB9A (0.78) KCNK3KCNK9NPC1RAB9AMTOR
SCHEMBL3771572 0.84 NPC1 (0.59) PTGESNPC1RAB9ARXFP1MTOR
SCHEMBL3771639 0.84 NPC1 (0.75) PTGESNPC1RAB9AF2RMTOR
SCHEMBL3772942 0.84 KCNK3 (0.62) KCNK3KCNK9NPC1RAB9AMTOR
SCHEMBL3771506 0.84 NPC1 (0.75) PTGESKCNK3KCNK9NPC1RAB9A
SCHEMBL3768814 0.83 NPC1 (0.56) 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 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.