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SCHEMBL4043993

SCHEMBL4043993

CC(C)CC(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ POLB P06746 4/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CCR4 P51679 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL4042824 0.90 KDM4E (0.40) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL4039401 0.89 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2ATSHR
SCHEMBL4040674 0.89 POLB (0.37) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL4043767 0.88 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL4041865 0.87 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2KMT2AGAA
SCHEMBL4043526 0.87 KMT2A (0.35) ALDH1A1SMN1; SMN2POLBKMT2AGAA
SCHEMBL4042739 0.84 CTSL (0.41) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL4042023 0.84 CTSK (0.33) ALDH1A1KMT2AGAA
SCHEMBL4038934 0.82 CTSK (0.32) ALDH1A1KMT2AGAA
SCHEMBL6210897 0.82 POLB (0.36) ALDH1A1LMNASMN1; SMN2POLBKMT2A

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 8 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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 — — EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 — — WO 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
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 ALDH1A1 4151/4885LMNA 3686/4885SMN1; SMN2 3546/4885

“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.