SCHEMBL6478418

SCHEMBL6478418

O=C(OCc1ccccc1)N1CCN(c2ccc(OB(O)O)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
ME2 P23368 3/20 0.50
ME1 P48163 3/20 0.50
ME3 Q16798 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.45
GRIN2B Q13224 4/20 0.43

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
SCHEMBL6349901 0.87 HDAC1 (0.59) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL15331084 0.84 HDAC1 (0.59) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL6478335 0.84 HDAC1 (0.61) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL6350032 0.84 ME2 (0.70) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL13981711 0.82 HDAC1 (0.67) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL6479590 0.79 ALDH1A1 (0.63) HDAC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL7488568 0.78 HDAC1 (0.62) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL4753923 0.78 MAPT (0.62) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL5214510 0.78 ME2 (0.57) HDAC1SMN1; SMN2ME2ME1ME3
SCHEMBL30620934 0.77 GPR119 (0.60) GPR119

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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 HDAC1 211/4885SMN1; SMN2 3783/4885ME2 4720/4885

“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.