SCHEMBL879697

SCHEMBL879697

COC(=O)Nc1cc(C(F)(F)F)c(Br)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
CFTR P13569 1/20 0.40
SOS1 Q07889 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 5/20 0.37
HTT P42858 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.36
XBP1 P17861 1/20 0.36
TSHR P16473 1/20 0.35
TRPA1 O75762 1/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4043920 0.84 CFTR (0.41) NOTUMCFTRSOS1HPGDSMN1; SMN2
SCHEMBL28920139 0.82 LMNA (0.43) NOTUMCFTRSOS1SMN1; SMN2MAPT
SCHEMBL849646 0.81 HPGD (0.46) HPGDSMN1; SMN2MAPTHTTMEN1
SCHEMBL3924432 0.80 NPC1 (0.42) SOS1HPGDSMN1; SMN2HTTMEN1
SCHEMBL18211328 0.75 NOTUM (0.39) NOTUMHPGDSMN1; SMN2MAPTHTT
SCHEMBL23525884 0.73 SOS1 (0.57) NOTUMCFTRSOS1SMN1; SMN2MAPT
SCHEMBL3936374 0.73 HPGD (0.46) HPGDSMN1; SMN2MAPTHTTMEN1
SCHEMBL19502094 0.71 LMNA (0.44) NOTUMSMN1; SMN2MAPTHTTMEN1
SCHEMBL3935331 0.71 HTT (0.42) HPGDSMN1; SMN2MAPTHTTMEN1
SCHEMBL23140059 0.71 NOTUM (0.42) NOTUMSMN1; SMN2MAPTHTTMEN1

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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 NOTUM 4118/4885CFTR 32/4885SOS1 2825/4885

“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.