Sugi Predict

Sugi Predict / Compounds / SCHEMBL17618069

SCHEMBL17618069

SCHEMBL17618069

COC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(CO)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.48
▸ RAB9A P51151 7/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL17618068 0.91 AR (0.47) ARRAB9AALDH1A1KDM4EGAA
SCHEMBL16211376 0.90 ALDH1A1 (0.48) ARRAB9AALDH1A1KDM4EGAA
SCHEMBL16211862 0.90 HDAC1 (0.48) ARRAB9AALDH1A1KDM4ENPC1
SCHEMBL17618036 0.88 RAB9A (0.49) ARRAB9AALDH1A1KDM4EGAA
SCHEMBL20236791 0.87 AR (0.53) ARRAB9AALDH1A1KDM4ENPC1
SCHEMBL16211453 0.86 HDAC1 (0.46) ARSMN1; SMN2MAPTNR1H4CYP3A4
SCHEMBL22218345 0.86 AR (0.53) ARRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL16211284 0.85 HDAC1 (0.54) ARMAPTNR1H4LMNAMEN1
SCHEMBL20236142 0.83 AR (0.51) ARRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL16221510 0.81 AR (0.40) ARRAB9AALDH1A1KDM4ENPC1

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

“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.