SCHEMBL10109057

SCHEMBL10109057

CCC(C)(C)NC(=O)CCNC(=O)N1CCN(C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ EPHX1 P07099 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 3/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL10102870 0.87 ALDH1A1 (0.41) KMT2ATDP1HTTNAMPTALDH1A1
SCHEMBL16219492 0.79 KMT2A (0.44) KMT2ATDP1HTTPOLBMEN1
SCHEMBL16219381 0.79 KMT2A (0.44) KMT2ATDP1HTTNAMPTPOLB
SCHEMBL12139785 0.76 KMT2A (0.47) KMT2ATDP1HTTPOLBNPSR1
SCHEMBL13347327 0.75 KMT2A (0.73) KMT2ATDP1HTTPOLBMEN1
SCHEMBL10245087 0.74 TDP1 (0.54) KMT2AEPHX1TDP1HTTNAMPT
SCHEMBL18713107 0.72 KDM4E (0.46) KMT2ATDP1HTTALDH1A1HPGD
SCHEMBL16219382 0.69 KMT2A (0.47) KMT2ATDP1HTTPOLBNPSR1
SCHEMBL16219489 0.69 RBP4 (0.52) KMT2ATDP1HTTALDH1A1POLB
SCHEMBL16103859 0.68 KMT2A (0.60) KMT2ATDP1HTTNAMPTALDH1A1

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-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 — — 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-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 KMT2A 1968/4885EPHX1 171/4885TDP1 781/4885

“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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