SCHEMBL17618086

SCHEMBL17618086

COC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 4/20 0.43
AR P10275 1/20 0.41
HTR1A P08908 2/20 0.41
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL17618079 0.90 MEN1 (0.47) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL17618085 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL16211713 0.86 ALDH1A1 (0.41) RAB9AALDH1A1ARHTR1ANPC1
SCHEMBL17618088 0.85 KDM4E (0.37) RAB9AALDH1A1KDM4ELOXL2GAA
SCHEMBL16211542 0.84 ALDH1A1 (0.54) RAB9AALDH1A1ARSMN1; SMN2KDM4E
SCHEMBL17618087 0.84 KMT2A (0.39) RAB9AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL16211607 0.83 ALDH1A1 (0.55) ALDH1A1ARSMN1; SMN2KDM4E
SCHEMBL16211438 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL20236791 0.80 AR (0.53) RAB9AALDH1A1ARNPC1SMN1; SMN2
SCHEMBL17618036 0.80 RAB9A (0.49) RAB9AALDH1A1ARNPC1KDM4E

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 2434/4885ALDH1A1 1381/4885AR 2169/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 RAB9A 2434/4885ALDH1A1 1381/4885AR 2169/4885

“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.