SCHEMBL5577301

SCHEMBL5577301

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccccc4C)cc3)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
POLB P06746 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
PTBP1 P26599 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PDE10A Q9Y233 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CHRM4 P08173 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
SCHEMBL5577770 0.91 MEN1 (0.53) ALDH1A1POLBTDP1PTBP1MEN1
SCHEMBL5577613 0.91 MEN1 (0.53) ALDH1A1POLBTDP1PTBP1MEN1
SCHEMBL5577355 0.89 CCR5 (0.54) ALDH1A1POLBTDP1PTBP1MEN1
SCHEMBL5577337 0.87 TSHR (0.56) ALDH1A1POLBTDP1PTBP1MEN1
SCHEMBL5577471 0.86 MEN1 (0.58) ALDH1A1POLBTDP1PTBP1MEN1
SCHEMBL5577413 0.86 ABCB1 (0.54) POLBSMN1; SMN2PDE10ASIGMAR1
SCHEMBL5577498 0.85 DRD2 (0.53) ALDH1A1POLBTDP1PTBP1MEN1
SCHEMBL5577336 0.83 ALDH1A1 (0.54) ALDH1A1POLBTDP1PTBP1MEN1
SCHEMBL5577314 0.82 ABCB1 (0.49) ALDH1A1POLBPTBP1MEN1KMT2A
SCHEMBL5577541 0.82 PTBP1 (0.50) ALDH1A1POLBTDP1PTBP1MEN1

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 1 patent. 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

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 ALDH1A1 1147/4885POLB 3375/4885TDP1 3686/4885

“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.