SCHEMBL17618077

SCHEMBL17618077

COC(=O)c1ccc(CNc2cccc(C)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
LOXL2 Q9Y4K0 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL31395039 0.82 CA1 (0.49) CA1CA2LOXL2HDAC1DRD2
SCHEMBL16211595 0.82 CA1 (0.49) CA1CA2LOXL2HDAC1DRD2
SCHEMBL15761765 0.79 CXCR4 (0.66) RAB9ANPC1L3MBTL1CA1CA2
SCHEMBL31724971 0.78 HDAC6 (0.70) RAB9ANPC1L3MBTL1CA1CA2
SCHEMBL19617458 0.78 HDAC6 (0.70) RAB9ANPC1L3MBTL1CA1CA2
SCHEMBL19631531 0.78 HDAC6 (0.74) CA1CA2HSD17B10HDAC1SMN1; SMN2
SCHEMBL212154 0.78 HDAC1 (0.64) HSD17B10HDAC1SMN1; SMN2LMNA
SCHEMBL3174186 0.77 L3MBTL1 (0.69) RAB9ANPC1L3MBTL1NPSR1HSD17B10
Alcohol SCHEMBL14813398 0.76 CXCR4 (0.60) RAB9ANPC1L3MBTL1CA1CA2
SCHEMBL210701 0.76 CLK4 (0.50) RAB9ANPC1CA1CA2LOXL2

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 RAB9A 2434/4885NPC1 2349/4885L3MBTL1 4390/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 RAB9A 2434/4885NPC1 2349/4885L3MBTL1 4390/4885

“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.