SCHEMBL4046128

SCHEMBL4046128

NC(=O)Oc1ccc(C[CH]C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
TSHR P16473 2/20 0.35
FKBP1A P62942 2/20 0.35
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NAMPT P43490 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
KCNQ1 P51787 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL4044854 0.89 FKBP1A (0.37) FKBP1ANAMPT
SCHEMBL4042070 0.88 KMT2A (0.33) KDM4EALDH1A1NAMPTLMNA
SCHEMBL4043931 0.86 ELANE (0.30)
SCHEMBL4043695 0.85 ELOVL6 (0.35) ELOVL6
SCHEMBL4043899 0.83 PAX8 (0.36) ALDH1A1
SCHEMBL4038371 0.82 KDM4E (0.40) KDM4ETSHRMAPK1HPGDALDH1A1
SCHEMBL4039217 0.82 HSD17B10 (0.40) KDM4EELOVL6TSHRHPGDALDH1A1
SCHEMBL4038909 0.81 STS (0.35) ALDH1A1
SCHEMBL4046518 0.81 ESR1 (0.31)
SCHEMBL4041820 0.80 KDM4E (0.38) KDM4EELOVL6TSHRMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-2012777-A2 PROCESS FOR THE SYNTHESIS OF (+) AND (-)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE DOV Pharmaceutical, Inc. (US) 2009-01-14 EP disclosed
WO-2008024143-A2 PROCESS FOR THE SYNTHESIS OF (+) AND (-)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE DOV PHARMACEUTICAL, INC. (US) 2008-02-28 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KDM4E 3911/4885ELOVL6 4117/4885TSHR 1023/4885

“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.