SCHEMBL14928368

SCHEMBL14928368

CCCOc1ncc([N+](=O)[O-])cc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
CYP19A1 P11511 2/20 0.39
MAPK1 P28482 2/20 0.37
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.33

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
SCHEMBL3344203 0.89 MEN1 (0.38) MAPTRAB9ANPC1MAPK1HSP90AA1
SCHEMBL3379154 0.88 MAPT (0.38) MAPTRAB9ANPC1MAPK1HSP90AA1
SCHEMBL3367001 0.83 MAPT (0.44) MAPTRAB9ANPC1MAPK1HSP90AA1
SCHEMBL14928319 0.79 MAPT (0.43) MAPTRAB9ANPC1CYP19A1CNR1
SCHEMBL14928241 0.77 MAPT (0.43) MAPTRAB9ANPC1CYP19A1MAPK1
SCHEMBL14928357 0.77 MAPT (0.43) MAPTRAB9ANPC1CYP19A1MAPK1
SCHEMBL14928601 0.76 TRPC6 (0.36) MAPTRAB9ANPC1CNR2ALDH1A1
SCHEMBL22165793 0.75 HSP90AA1 (0.42) MAPTMAPK1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL7247518 0.74 TP53 (0.44) MAPTRAB9ANPC1CYP19A1ALDH1A1
SCHEMBL31378931 0.73 HSP90AA1 (0.43) MAPTRAB9AMAPK1HSP90AA1NPSR1

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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MAPT 4186/4885RAB9A 2445/4885NPC1 1367/4885

“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.