SCHEMBL25720289

SCHEMBL25720289

Cn1c(=O)n(Cc2cccc(OC(F)(F)P)c2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
PARG Q86W56 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TRPC5 Q9UL62 2/20 0.41

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
SCHEMBL30345142 0.90 GRIN1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23997444 0.90 GRIN1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL25719543 0.71 ALDH1A1 (0.50) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL24405792 0.71 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL25718704 0.71 MIF (0.62) ALDH1A1TSHRPARGKMT2AMEN1
SCHEMBL25719533 0.71 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23997180 0.70 PARG (0.59) PARGKMT2APOLBLMNA
SCHEMBL30336927 0.70 PARG (0.59) PARGKMT2APOLBLMNA
Trifluoroacetic Acid SCHEMBL31197678 0.69 MEN1 (0.58) NPC1SMN1; SMN2ALDH1A1TSHRPARG
SCHEMBL25719546 0.69 ALDH1A1 (0.46) NPC1SMN1; SMN2ALDH1A1TSHRPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NPC1 657/4885RAB9A 3126/4885SMN1; SMN2 3247/4885

“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.