Sugi Predict

Sugi Predict / Compounds / SCHEMBL17618041

SCHEMBL17618041

SCHEMBL17618041

COC(=O)c1ccc(CN(C(=O)N2CCN(C(C)=O)CC2)c2cccc(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ JAK2 O60674 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ GFER P55789 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.40
▸ AR P10275 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSPO P30536 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL17618037 0.91 CYP3A4 (0.52) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618036 0.91 RAB9A (0.49) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618020 0.89 RAB9A (0.47) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618028 0.89 HDAC1 (0.49) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL16211634 0.89 LTB4R2 (0.44) RAB9ANPC1KMT2AMEN1NR1H4
SCHEMBL17618066 0.88 NPC1 (0.50) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL22217709 0.88 RAB9A (0.47) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL22217710 0.88 RAB9A (0.49) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618035 0.88 RAB9A (0.47) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618025 0.87 HDAC1 (0.46) RAB9ANPC1CYP3A4CYP2D6CYP2C9

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 2349/4885CYP3A4 3601/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 RAB9A 2434/4885NPC1 2349/4885CYP3A4 3601/4885

“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.