SCHEMBL17618056

SCHEMBL17618056

COC(=O)c1ccc(CN(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MLYCD O95822 2/20 0.41
CYP1A2 P05177 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL17618030 0.91 ALDH1A1 (0.52) ALDH1A1MAPK1RAB9ANPC1HPGD
SCHEMBL17618054 0.91 SMN1; SMN2 (0.47) ALDH1A1MAPK1RAB9ANPC1HPGD
SCHEMBL16211272 0.89 MLYCD (0.49) MLYCD
SCHEMBL17618063 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1RAB9AHPGDALOX15
SCHEMBL17623818 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1RAB9ANPC1HPGD
SCHEMBL20236729 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1RAB9ANPC1HPGD
SCHEMBL16211608 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1RAB9ANPC1HPGD
SCHEMBL17618071 0.82 KMT2A (0.54) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL16211283 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1RAB9ANPC1HPGD
SCHEMBL16211282 0.81 MAPK1 (0.57) ALDH1A1MAPK1RAB9AHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 ALDH1A1 1381/4885MAPK1 2028/4885RAB9A 2434/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 ALDH1A1 1381/4885MAPK1 2028/4885RAB9A 2434/4885

“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.