SCHEMBL14929005

SCHEMBL14929005

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.40
HTT P42858 2/20 0.40
TNF P01375 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL10925932 0.86 ALDH1A1 (0.50) ALDH1A1TDP1LMNATP53POLB
SCHEMBL11174393 0.83 ALDH1A1 (0.47) ALDH1A1TDP1LMNATP53POLB
SCHEMBL30371843 0.82 LMNA (0.53) ALDH1A1TDP1LMNATP53POLB
SCHEMBL21149874 0.82 LMNA (0.53) ALDH1A1TDP1LMNATP53POLB
SCHEMBL21149873 0.82 LMNA (0.53) ALDH1A1TDP1LMNATP53POLB
SCHEMBL21121175 0.80 TDP1 (0.50) ALDH1A1TDP1LMNATP53POLB
SCHEMBL31671417 0.80 LMNA (0.53) ALDH1A1TDP1LMNATP53POLB
SCHEMBL13669517 0.80 LMNA (0.53) ALDH1A1TDP1LMNATP53POLB
SCHEMBL30630019 0.80 LMNA (0.53) ALDH1A1TDP1LMNATP53POLB
SCHEMBL820702 0.80 LMNA (0.53) ALDH1A1TDP1LMNATP53POLB

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 ALDH1A1 1638/4885TDP1 2598/4885LMNA 3649/4885

“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.