SCHEMBL15316698

SCHEMBL15316698

Cc1ccc(CC(=O)CCc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
TBXAS1 P24557 9/20 0.51
NAPRT Q6XQN6 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP13 P45452 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
P-Xylene SCHEMBL6281558 0.83 TBXAS1 (0.68) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL27939457 0.82 TBXAS1 (0.64) TDP1L3MBTL1TBXAS1NAPRTCYP1A2
SCHEMBL15316696 0.81 L3MBTL1 (1.00) TDP1L3MBTL1ALDH1A1
SCHEMBL12530406 0.80 TBXAS1 (0.57) TDP1L3MBTL1TBXAS1NAPRTCYP1A2
SCHEMBL3373232 0.79 TBXAS1 (0.55) TDP1L3MBTL1TBXAS1NAPRTALDH1A1
SCHEMBL6888085 0.79 ALDH1A1 (0.59) TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL21093385 0.78 TDP1 (0.57) TDP1L3MBTL1TBXAS1NAPRTCYP1A2
SCHEMBL9706562 0.77 NAMPT (0.67) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7280697 0.76 NAPRT (0.61) TDP1L3MBTL1TBXAS1NAPRTCYP1A2
SCHEMBL4200852 0.76 TBXAS1 (0.57) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9

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-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US disclosed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 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-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TDP1 3947/4885L3MBTL1 3563/4885TBXAS1 2045/4885

“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.