SCHEMBL3056083

SCHEMBL3056083

[CH2]c1ccc(C(=O)NCC(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.63
HPGD P15428 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 4/20 0.50
ALOX12 P18054 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KCNH2 Q12809 1/20 0.50
NAMPT P43490 1/20 0.49
ACACB O00763 1/20 0.49
HDAC4 P56524 1/20 0.48
EPHX2 P34913 2/20 0.47
MEN1 O00255 2/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL17865783 0.90 MLYCD (0.73) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL162726 0.83 MLYCD (0.65) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL178516 0.83 MLYCD (0.65) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL5503502 0.82 MEN1 (0.57) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL2303161 0.82 HPGD (0.46) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL23665801 0.81 MLYCD (0.63) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL104285 0.81 HPGD (0.63) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL5940582 0.81 MLYCD (0.63) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL889069 0.81 MLYCD (0.63) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL6755639 0.81 ALDH1A1 (0.71) MLYCDHPGDNPSR1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 MLYCD 2059/4885HPGD 263/4885NPSR1 678/4885

“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.