SCHEMBL6401762

SCHEMBL6401762

CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)Nc3cccc(C(=O)Nc4cc(F)cc(N5CCOCC5)c4)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.54
MAPT P10636 8/20 0.52
ALDH1A1 P00352 7/20 0.50
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL2980235 0.88 SIRT6 (0.51) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL4827754 0.82 MAPK14 (0.54) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL7848917 0.81 ALDH1A1 (0.49) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL7614087 0.79 KCNQ3 (0.54) MAPTLMNANPC1RAB9AHTT
SCHEMBL28676274 0.78 SIRT6 (0.83) SIRT6MAPTALDH1A1POLBNPC1
SCHEMBL2979467 0.77 MAPT (0.50) MAPTALDH1A1LMNAPOLBNPC1
SCHEMBL6883068 0.77 SMN1; SMN2 (0.54) MAPTALDH1A1LMNAPOLBNPC1
SCHEMBL2969766 0.77 HDAC3 (0.51) MAPTALDH1A1NPC1RAB9AHTT
SCHEMBL2978967 0.76 MAPT (0.58) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL4824273 0.76 BRAF (0.65) SIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B SIRT6 336/4885MAPT 4431/4885ALDH1A1 269/4885

“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.