SCHEMBL14910072

SCHEMBL14910072

CCC[C@H]([C@H](CC)N(C(=O)O)C(C)(C)C)N(O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
AOC3 Q16853 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL14909765 0.92 RIPK1 (0.47) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL14910861 0.86 RIPK1 (0.42) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL14910860 0.86 RIPK1 (0.42) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL14910711 0.84 RIPK1 (0.44) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL835783 0.78 AOC3 (0.57) RIPK1LMNAALDH1A1AOC3POLB
SCHEMBL14928811 0.77 TRPA1 (0.42) RIPK1MEN1KMT2ALMNAALDH1A1
SCHEMBL3346244 0.75 AOC3 (0.42) RIPK1LMNAALDH1A1AOC3POLB
SCHEMBL14923719 0.73 CTSK (0.47)
SCHEMBL14909835 0.72 SLC1A2 (0.33) ALDH1A1
SCHEMBL14910434 0.72 LMNA (0.35) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
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-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK RIPK1 823/4885MEN1 2870/4885KMT2A 1162/4885

“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.