SCHEMBL4092012

SCHEMBL4092012

COC(=O)Cc1ccc(CNNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AB1 P08238 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESRRG P62508 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4087321 0.86 SLC7A5 (0.47) GAACYP4F2CYP4A11MAPTLMNA
SCHEMBL5209897 0.85 L3MBTL1 (0.52) GAACYP4F2CYP4A11MAPTLMNA
SCHEMBL6445761 0.84 ESRRG (0.55) GAACA12CA1CA7CA14
SCHEMBL2493016 0.84 NPC1 (0.49) GAAMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL9971059 0.83 GAA (0.51) GAAMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6236607 0.83 GAA (0.51) GAAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5766581 0.82 CA1 (0.51) GAACYP4F2CYP4A11MAPTLMNA
SCHEMBL13903558 0.82 ESRRG (0.60) GAALMNASMN1; SMN2NPC1RAB9A
SCHEMBL1668799 0.82 GAA (0.50) GAALMNASMN1; SMN2HPGDCA12
SCHEMBL4025879 0.82 GAA (0.68) GAALMNASMN1; SMN2ALDH1A1CA12

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-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 GAA 3157/4885CYP4F2 781/4885CYP4A11 56/4885

“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.