SCHEMBL13498398

SCHEMBL13498398

O=C(O)c1ccc2c(c1)CCN(C(=O)CC1CCCC1)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.57
▸ PRMT5 O14744 2/20 0.52
▸ HDAC6 Q9UBN7 5/20 0.51
▸ ENPP2 Q13822 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ MYC P01106 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
SCHEMBL17572016 0.95 PRMT5 (0.57) NAMPTPRMT5HDAC6ENPP2ALDH1A1
SCHEMBL17560248 0.90 PRMT5 (0.57) NAMPTPRMT5HDAC6ALDH1A1KDM4E
SCHEMBL1263315 0.88 HDAC6 (0.67) NAMPTPRMT5HDAC6HDAC8
SCHEMBL17560156 0.84 NAMPT (0.58) NAMPTPRMT5HDAC6ALDH1A1HDAC8
SCHEMBL13498396 0.84 ENPP2 (0.47) NAMPTPRMT5HDAC6ENPP2ALDH1A1
SCHEMBL1264708 0.82 HDAC6 (0.63) PRMT5HDAC6HDAC8
SCHEMBL4437418 0.82 L3MBTL1 (0.49) NAMPTPRMT5HDAC6ENPP2ALDH1A1
SCHEMBL17560153 0.81 PRMT5 (0.56) NAMPTPRMT5HDAC6ALDH1A1KDM4E
SCHEMBL4431726 0.80 HDAC6 (0.77) NAMPTHDAC6ENPP2ALDH1A1KDM4E
SCHEMBL17572220 0.78 PRMT5 (0.50) NAMPTPRMT5ALDH1A1KDM4EMEN1

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-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 NAMPT 517/4885PRMT5 1868/4885HDAC6 138/4885

“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.

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