SCHEMBL6768369

SCHEMBL6768369

O=C(N1CCOCC1)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.48
MAPK13 O15264 6/20 0.48
MAPK12 P53778 6/20 0.48
MAPK11 Q15759 6/20 0.48
AKR1C3 P42330 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KCNK3 O14649 1/20 0.41
PKM P14618 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL6778046 0.88 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6623836 0.78 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6614449 0.78 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6622348 0.78 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6771967 0.75 NPSR1 (0.43) MAPK14LMNAHTTALDH1A1TSHR
SCHEMBL6772320 0.75 NPSR1 (0.43) MAPK14LMNAHTTALDH1A1TSHR
SCHEMBL6773354 0.75 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6774189 0.75 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6479938 0.74 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11AKR1C3
SCHEMBL6688808 0.74 MGAM (0.50) MAPK14MAPK13MAPK12MAPK11

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-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 US claimed
US-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-01-16 US claimed
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 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-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 MAPK14 3429/4885MAPK13 4097/4885MAPK12 4447/4885

“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.