SCHEMBL4042070

SCHEMBL4042070

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
LMNA P02545 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL4046128 0.88 KDM4E (0.36) ALDH1A1KDM4ELMNANAMPT
SCHEMBL4044854 0.87 FKBP1A (0.37) NAMPT
SCHEMBL4046518 0.85 ESR1 (0.31)
SCHEMBL4040334 0.83 TBXAS1 (0.36) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL4040282 0.83 PIK3CD (0.35) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL4043173 0.81 MAPK1 (0.33) ALDH1A1MAPTDPP4PREPFAP
SCHEMBL4043899 0.81 PAX8 (0.36) ALDH1A1MAPTOPRM1OPRK1
SCHEMBL4043695 0.81 ELOVL6 (0.35)
SCHEMBL4041690 0.81 KMT2A (0.32) KMT2ADPP4PREPFAPDPP8
SCHEMBL6240091 0.81 PREP (0.37) ALDH1A1DPP4PREPFAPDPP8

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
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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KMT2A 3867/4885ALDH1A1 4151/4885KDM4E 3911/4885

“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.