SCHEMBL12848849

SCHEMBL12848849

Cn1nnc(N2CCC3=C(C2)c2ncc(NC(=O)c4ccc(F)cc4F)nc2CCC3)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 2/20 0.40
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAP3K5 Q99683 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ CSNK1D P48730 5/20 0.33
▸ CSNK1E P49674 5/20 0.33
▸ GAA P10253 2/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32

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
SCHEMBL12848449 0.87 RORC (0.36) HTR1FNPC1MAPTRAB9AALDH1A1
SCHEMBL12848853 0.82 HTR1F (0.37) HTR1FNPC1MAPTRAB9AALDH1A1
SCHEMBL12848741 0.82 HTR1F (0.38) HTR1FNPC1MAPTRAB9AALDH1A1
SCHEMBL12848842 0.81 — —
SCHEMBL3827961 0.79 HTR1F (0.42) HTR1FNPC1MAPTRAB9AALDH1A1
SCHEMBL3823169 0.79 HTR1F (0.44) HTR1FNPC1MAPTRAB9AALDH1A1
SCHEMBL5019752 0.78 HTR1F (0.40) HTR1FNPC1MAPTRAB9AALDH1A1
SCHEMBL5019762 0.77 HTR1F (0.42) HTR1FALDH1A1LMNATP53MAP3K5
SCHEMBL13770701 0.76 HTR1F (0.38) HTR1FNPC1MAPTRAB9AALDH1A1
SCHEMBL12848559 0.74 TP53 (0.37) NPC1MAPTRAB9ALMNATP53

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 HTR1F 3815/4885NPC1 1042/4885MAPT 1865/4885

“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.

Send feedback