SCHEMBL13699497

SCHEMBL13699497

CC(=O)Nc1ccc(NCC2CCC(F)(F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.41
RORC P51449 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
NR1I2 O75469 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MB P02144 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
SCHEMBL10048290 0.83 MAPK14 (0.39) NAMPTALDH1A1NPC1RORCLMNA
SCHEMBL584850 0.82 PTGER4 (0.46) NAMPTALDH1A1NPC1RORCTDP1
SCHEMBL5146048 0.82 DHODH (0.54) NAMPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL10048007 0.80 HTT (0.42) NAMPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL13438651 0.79 NAMPT (0.49) NAMPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL11934758 0.79 NAMPT (0.49) NAMPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL584707 0.79 HTT (0.55) L3MBTL1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL11935098 0.74 GRIA2 (0.48) NAMPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL16891748 0.73 PSEN1 (0.41) TDP1
SCHEMBL2150997 0.72 ROCK2 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 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-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R NAMPT 2542/4885L3MBTL1 2718/4885ALDH1A1 574/4885

“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.