SCHEMBL5558555

SCHEMBL5558555

O=C(O)c1cc2cccc(OCCN3CCCCC3)c2o1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ABCB1 P08183 1/20 0.50
DRD1 P21728 3/20 0.49
DRD3 P35462 3/20 0.49
DRD2 P14416 2/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH1 P35367 3/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 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
SCHEMBL5559235 0.99 HRH3 (0.52) KDM4ESMN1; SMN2HRH3ABCB1DRD1
SCHEMBL5564284 0.90 RXFP1 (0.59) KDM4EDRD1MEN1KMT2ADRD4
SCHEMBL6984399 0.86 KDM4E (0.56) KDM4ESMN1; SMN2HRH3GAAMEN1
SCHEMBL5558971 0.80 LMNA (0.50) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5565438 0.78 LMNA (0.55) KDM4ESMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5564192 0.77 RXFP1 (0.46) KDM4ESMN1; SMN2HRH3DRD3DRD2
SCHEMBL7086519 0.76 RXFP1 (0.56) KDM4ESMN1; SMN2HRH3MEN1KMT2A
SCHEMBL5563050 0.76 RXFP1 (0.45) KDM4ESMN1; SMN2HRH3DRD3DRD2
SCHEMBL2649753 0.76 KMT2A (0.59) SMN1; SMN2HRH3MEN1KMT2APOLB
SCHEMBL5559604 0.76 LMNA (0.49) KDM4ESMN1; SMN2DRD1DRD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US claimed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
US-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 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-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 KDM4E 137/4885SMN1; SMN2 3485/4885HRH3 224/4885

“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.