SCHEMBL5559235

SCHEMBL5559235

O=C(O)c1cc2cccc(OCCN3CCCC3)c2o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
DRD1 P21728 3/20 0.50
DRD3 P35462 3/20 0.50
DRD2 P14416 2/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ABCB1 P08183 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
HRH1 P35367 4/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5558555 0.99 KDM4E (0.51) HRH3DRD1DRD3DRD2KDM4E
SCHEMBL5564284 0.91 RXFP1 (0.59) DRD1KDM4ERXFP1DRD4DRD5
SCHEMBL6984399 0.85 KDM4E (0.56) HRH3KDM4ESMN1; SMN2RXFP1MEN1
SCHEMBL5558971 0.81 LMNA (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5565438 0.79 LMNA (0.55) KDM4ESMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL7086519 0.77 RXFP1 (0.56) HRH3KDM4ESMN1; SMN2RXFP1MEN1
SCHEMBL5563050 0.77 RXFP1 (0.45) HRH3DRD3DRD2KDM4ESMN1; SMN2
SCHEMBL2649753 0.77 KMT2A (0.59) HRH3SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5559604 0.77 LMNA (0.49) DRD1DRD2KDM4ESMN1; SMN2HRH1
SCHEMBL6444213 0.77 PIM1 (0.51) HRH3SMN1; SMN2MEN1KMT2ANPC1

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 4 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
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

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 HRH3 224/4885DRD1 1755/4885DRD3 2984/4885

“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.