SCHEMBL15710076

SCHEMBL15710076

COC(NC(=O)c1ccccc1)(c1ccccc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR132 Q9UNW8 1/20 0.46
MAPT P10636 1/20 0.44
KCNK3 O14649 1/20 0.44
PLOD2 O00469 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42

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
SCHEMBL15710043 0.87 JAK2 (0.47) ALDH1A1HDAC6CYP1A2CYP3A4KCNK3
SCHEMBL9986715 0.87 CES1 (0.51) ALDH1A1HDAC6CYP3A4MAPTRAB9A
SCHEMBL18286235 0.80 IMPDH2 (0.59) NAMPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL28530141 0.74 HDAC1 (0.57) NAMPTALDH1A1HDAC6LMNACYP3A4
SCHEMBL29975809 0.74 HDAC1 (0.57) NAMPTALDH1A1HDAC6LMNACYP3A4
SCHEMBL10334711 0.71 KCNN4 (0.49) ALDH1A1HDAC6LMNACYP1A2CYP3A4
SCHEMBL14082532 0.69 MKNK1 (0.62) NAMPTALDH1A1LMNARAB9ANPC1
SCHEMBL28128466 0.69 POLB (0.53) ALDH1A1HDAC6MAPTRAB9ANPC1
SCHEMBL12260655 0.69 CYP3A4 (0.84) NAMPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL31268672 0.68 HDAC1 (0.62) ALDH1A1HDAC6LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2014-05-22 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-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 NAMPT 140/4885ALDH1A1 2570/4885HDAC6 1/4885

“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.