SCHEMBL4514770

SCHEMBL4514770

COc1cc(C)nc(OC)c1NC(=O)CN1CCN(CCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL4532301 0.84 LMNA (0.44) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6727040 0.83 LMNA (0.44) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4506878 0.81 KDM4E (0.42) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4829368 0.79 KDM4E (0.44) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4505557 0.75 HSD17B10 (0.56) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4522249 0.75 RAB9A (0.54) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5536559 0.74 KMT2A (0.51) LMNAALDH1A1KDM4ETP53ALOX15
SCHEMBL4513891 0.74 SOAT1 (0.65) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4827078 0.73 HSD17B10 (0.47) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6175296 0.72 ALDH1A1 (0.74) LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (2 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-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 LMNA 4821/4885ALDH1A1 45/4885KDM4E 1630/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT LMNA 4773/4885ALDH1A1 146/4885KDM4E 1569/4885

“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.