SCHEMBL5577667

SCHEMBL5577667

COc1ccc(C(=O)NCc2ccc(C3CCN(Cc4ccc(OC)c(OC)c4)CC3)cc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTBP1 P26599 1/20 0.51
MAPT P10636 2/20 0.51
ABCB1 P08183 2/20 0.50
PDE10A Q9Y233 1/20 0.50
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL5577314 0.93 ABCB1 (0.49) PTBP1ABCB1PDE10ALMNAALDH1A1
SCHEMBL5577836 0.89 TSHR (0.59) LMNAALDH1A1GAASMN1; SMN2MCHR1
SCHEMBL5577744 0.86 ABCB1 (0.49) MAPTABCB1PDE10ALMNAALDH1A1
SCHEMBL5577417 0.85 NR1H4 (0.58) ABCB1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL5577413 0.85 ABCB1 (0.54) ABCB1PDE10ALMNASMN1; SMN2MCHR1
SCHEMBL5577593 0.84 ABCB1 (0.49) ABCB1PDE10AALDH1A1GAASMN1; SMN2
SCHEMBL5577904 0.84 KDM4E (0.57) ABCB1PDE10AALDH1A1DRD3MEN1
SCHEMBL5577476 0.84 LMNA (0.55) ABCB1PDE10ALMNAHPGDSMN1; SMN2
SCHEMBL5577689 0.84 CCR5 (0.61) ABCB1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL5577553 0.84 ABCB1 (0.51) ABCB1PDE10ALMNAALDH1A1SMN1; SMN2

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C PTBP1 1360/4885MAPT 449/4885ABCB1 325/4885

“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.