SCHEMBL14928526

SCHEMBL14928526

CC(C)C[C@H](C(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ELANE P08246 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 2/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.42
GCK P35557 1/20 0.42
CASP3 P42574 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL14928346 0.83 TDP1 (0.51) TDP1ALDH1A1LMNAGAATP53
SCHEMBL14928969 0.83 TDP1 (0.51) TDP1ALDH1A1LMNAGAATP53
SCHEMBL22495756 0.83 ALDH1A1 (0.47) TDP1ALDH1A1MEN1KMT2ATAAR1
SCHEMBL30630019 0.81 LMNA (0.53) TDP1ALDH1A1LMNAGAATP53
SCHEMBL820322 0.81 TDP1 (0.50) TDP1ALDH1A1LMNAGAATP53
SCHEMBL820702 0.81 LMNA (0.53) TDP1ALDH1A1LMNAGAATP53
SCHEMBL31671417 0.81 LMNA (0.53) TDP1ALDH1A1LMNAGAATP53
SCHEMBL21121175 0.81 TDP1 (0.50) TDP1ALDH1A1LMNAGAATP53
SCHEMBL13669517 0.81 LMNA (0.53) TDP1ALDH1A1LMNAGAATP53
SCHEMBL21019433 0.81 TDP1 (0.62) TDP1ALDH1A1MEN1KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 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 (2 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 TDP1 2598/4885ALDH1A1 1638/4885MEN1 2870/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 TDP1 1179/4885ALDH1A1 982/4885MEN1 2984/4885

“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.