SCHEMBL22777989

SCHEMBL22777989

O=C(O)Nc1cnc(C2CC(F)(F)C2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNQ3 O43525 3/20 0.33
KCNQ2 O43526 3/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
MGLL Q99685 1/20 0.33
PDE2A O00408 5/20 0.32
KIT P10721 2/20 0.32
GRM4 Q14833 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL23612039 0.85 RORC (0.35) NPC1RAB9AKCNQ3KCNQ2MAPT
SCHEMBL22803712 0.81 RORC (0.43) GSK3B
SCHEMBL29046113 0.78 HCAR2 (0.38) RAB9AMGLLPDE2A
SCHEMBL30412966 0.76 SYK (0.39)
SCHEMBL22777966 0.74 NPC1 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL23612049 0.74 IDO1 (0.39) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL22777999 0.74 MGLL (0.32) MGLL
SCHEMBL22803713 0.74 NTRK1 (0.31) MGLL
SCHEMBL29046102 0.74 MAPK1 (0.38) PDE2A
SCHEMBL30516582 0.74 MAPK1 (0.38) PDE2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182028-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2023-05-24 EP disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2022015957-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO 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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 830/4885RAB9A 860/4885SMN1; SMN2 2372/4885

“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.