Sugi Predict

Sugi Predict / Compounds / SCHEMBL17618082

SCHEMBL17618082

SCHEMBL17618082

CCN1[C@H](C)CN(C(=O)N(Cc2ccc(C(=O)OC)cc2)c2cccc(C)c2)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1H4 Q96RI1 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL17618083 0.90 RAB9A (0.50) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618084 0.88 RAB9A (0.42) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618022 0.87 RAB9A (0.46) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618032 0.87 RAB9A (0.46) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL16211384 0.87 HDAC6 (0.46) NR1H4LTB4R2MAPTHDAC1HDAC6
SCHEMBL17618037 0.85 CYP3A4 (0.52) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618035 0.84 RAB9A (0.47) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618036 0.83 RAB9A (0.49) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618042 0.83 RAB9A (0.45) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL17618044 0.83 RAB9A (0.45) 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.