SCHEMBL6771967

SCHEMBL6771967

O=C(N1CCc2ccccc21)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.42
NR4A1 P22736 1/20 0.42
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
CYP11B2 P19099 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 2/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL6772320 1.00 NPSR1 (0.43) NPSR1POLBALOX15NR4A1ALDH1A1
SCHEMBL6778046 0.77 MAPK14 (0.45) ALOX15ALDH1A1RAB9ASMN1; SMN2MAPK14
SCHEMBL6768369 0.75 MAPK14 (0.48) ALDH1A1TSHRLMNARAB9AMAPK14
SCHEMBL6773354 0.75 MAPK14 (0.45) GAAMAPK14
SCHEMBL6688808 0.74 MGAM (0.50) GAAMAPK14
SCHEMBL6623836 0.74 MAPK14 (0.50) MAPK14
SCHEMBL6614449 0.74 MAPK14 (0.53) MAPK14
SCHEMBL6622348 0.74 MAPK14 (0.50) MAPK14
SCHEMBL6667012 0.73 MAPK14 (0.53) LMNAMAPK14MAPT
SCHEMBL6625902 0.73 MAPK14 (0.53) LMNAMAPK14MAPT

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 NPSR1 143/4885POLB 4057/4885ALOX15 250/4885

“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.