SCHEMBL6396015

SCHEMBL6396015

CC1CCCCN1C(=O)c1coc(-c2ccc(CNC(=O)Cc3ccccc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 4/20 0.48
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL6396862 0.97 KMT2A (0.48) GAAKMT2ATSHRHTTALDH1A1
SCHEMBL6392717 0.91 HTT (0.46) GAAKMT2ATSHRHTTALDH1A1
SCHEMBL6392177 0.91 HRH3 (0.44) GAAKMT2ATSHRALDH1A1LMNA
SCHEMBL6393075 0.89 KMT2A (0.53) GAAKMT2ATSHRALDH1A1LMNA
SCHEMBL6392360 0.89 HPGD (0.47) GAAKMT2ATSHRHTTALDH1A1
SCHEMBL6393829 0.88 NPC1 (0.46) GAAKMT2ATSHRALDH1A1LMNA
SCHEMBL6390173 0.86 KMT2A (0.52) GAAKMT2ATSHRHTTALDH1A1
SCHEMBL6394983 0.86 KMT2A (0.52) GAAKMT2ATSHRHTTALDH1A1
SCHEMBL6394973 0.86 KMT2A (0.52) GAAKMT2ATSHRHTTALDH1A1
SCHEMBL6393686 0.86 KMT2A (0.48) GAAKMT2ATSHRALDH1A1LMNA

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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US claimed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 WO claimed
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 GAA 1718/4885KMT2A 3412/4885TSHR 4625/4885

“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.