SCHEMBL6777010

SCHEMBL6777010

FC(F)(CNCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
C3AR1 Q16581 1/20 0.38
NAMPT P43490 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3073763 0.83 NAMPT (0.45) MEN1HSP90AA1KMT2ANAMPTCYP3A4
SCHEMBL5557508 0.77 NAMPT (0.47) C3AR1NAMPTCYP3A4CYP2C9
SCHEMBL3079575 0.77 NAMPT (0.45) MEN1HSP90AA1KMT2AC3AR1NAMPT
SCHEMBL81910 0.77 PTAFR (0.50) MEN1KMT2AC3AR1NAMPTCYP3A4
SCHEMBL82430 0.76 PTAFR (0.49) MEN1KMT2AC3AR1NAMPTCYP3A4
SCHEMBL81394 0.76 PTAFR (0.49) MEN1KMT2AC3AR1NAMPTCYP3A4
SCHEMBL3080363 0.76 NAMPT (0.45) MEN1HSP90AA1KMT2AC3AR1NAMPT
SCHEMBL82722 0.75 PTAFR (0.56) C3AR1NAMPTCYP3A4CYP2C9
SCHEMBL3079286 0.75 PTAFR (0.48) C3AR1NAMPTCYP3A4CYP2C9
SCHEMBL83930 0.74 LMNA (0.49) MEN1KMT2AC3AR1CYP3A4CYP2C9

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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US claimed

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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 MEN1 1876/4885HSP90AA1 2379/4885KMT2A 1751/4885

“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.