SCHEMBL5577337

SCHEMBL5577337

COc1ccc(C(=O)NCc2ccc(C3CCN(Cc4ccc(OC)cc4OC)CC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
PTBP1 P26599 1/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
NAMPT P43490 1/20 0.51
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
LMNA P02545 2/20 0.49
MCHR1 Q99705 1/20 0.48
CHRM3 P20309 1/20 0.48
USP5 P45974 1/20 0.48
MAOA P21397 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5577471 0.95 MEN1 (0.58) TSHRPTBP1ALDH1A1POLBTDP1
SCHEMBL5577336 0.95 ALDH1A1 (0.54) TSHRPTBP1ALDH1A1POLBTDP1
SCHEMBL5577355 0.94 CCR5 (0.54) TSHRPTBP1ALDH1A1POLBTDP1
SCHEMBL5577541 0.93 PTBP1 (0.50) TSHRPTBP1ALDH1A1POLBTDP1
SCHEMBL5577498 0.89 DRD2 (0.53) PTBP1ALDH1A1POLBTDP1MEN1
SCHEMBL5577635 0.88 TSHR (0.71) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL5577770 0.88 MEN1 (0.53) TSHRPTBP1ALDH1A1POLBTDP1
SCHEMBL5577836 0.88 TSHR (0.59) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL5577301 0.87 ALDH1A1 (0.51) PTBP1ALDH1A1POLBTDP1MEN1
SCHEMBL5577613 0.86 MEN1 (0.53) TSHRPTBP1ALDH1A1POLBTDP1

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 TSHR 4205/4885PTBP1 1360/4885ALDH1A1 1147/4885

“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.