SCHEMBL2247253

SCHEMBL2247253

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ME2 P23368 2/20 0.36
ME1 P48163 2/20 0.36
ME3 Q16798 2/20 0.36
NPY1R P25929 1/20 0.36
ADORA2B P29275 1/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL2250334 0.87 ME2 (0.40) TP53MAPTLMNAKDM4EHPGD
SCHEMBL2247755 0.86 ADORA2A (0.35) TP53POLBMAPTLMNAKDM4E
SCHEMBL2245954 0.86 PANK3 (0.44) ME2ME1ME3
SCHEMBL2252065 0.86 SMN1; SMN2 (0.47) HRH3LMNAKDM4EHPGDME2
SCHEMBL2249039 0.86 TGM2 (0.40) TP53MAPTLMNAKDM4EMAPK1
SCHEMBL1828390 0.85 ALDH1A1 (0.41) TP53POLBMAPTKDM4EALDH1A1
SCHEMBL2247586 0.85 TGM2 (0.37) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL2247475 0.84 LMNA (0.42) TP53MAPTLMNAKDM4EMAPK1
SCHEMBL2249495 0.84 ACACB (0.41) POLBMAPTLMNAKDM4EALDH1A1
SCHEMBL8270754 0.84 ACACB (0.41) POLBMAPTLMNAKDM4EALDH1A1

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
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD HRH3 18/4885TP53 2392/4885POLB 2290/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD HRH3 19/4885TP53 2496/4885POLB 2410/4885

“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.