Sugi Predict

Sugi Predict / Compounds / SCHEMBL5457533

SCHEMBL5457533

SCHEMBL5457533

COC(=O)c1ccc2ccn(Cc3ccc(OC(F)F)cc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 8/20 0.61
▸ HDAC6 Q9UBN7 8/20 0.61
▸ HDAC1 Q13547 7/20 0.61
▸ HDAC2 Q92769 7/20 0.61
▸ HDAC3 O15379 6/20 0.61
▸ HDAC10 Q969S8 6/20 0.61
▸ HDAC11 Q96DB2 2/20 0.61
▸ HDAC9 Q9UKV0 2/20 0.61
▸ HDAC4 P56524 1/20 0.61
▸ HDAC7 Q8WUI4 1/20 0.61
▸ HDAC5 Q9UQL6 1/20 0.61
▸ NCOR2 Q9Y618 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ APOBEC3A P31941 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55

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
SCHEMBL5464848 0.87 HDAC6 (0.78) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1993513 0.87 HDAC6 (0.74) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6085744 0.85 HDAC8 (0.62) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6087416 0.83 HDAC8 (0.62) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL4252007 0.82 HDAC8 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL8685995 0.82 HDAC8 (0.60) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL28562747 0.81 HDAC6 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL30185502 0.81 HDAC6 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6086717 0.81 HDAC8 (0.58) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL26325655 0.81 HDAC8 (0.59) HDAC8HDAC6HDAC1HDAC2HDAC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 — — US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 — — US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 — — US disclosed
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2013-06-20 — — US disclosed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 — — US disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 — — 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 (3 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC8 1/4885HDAC6 10/4885HDAC1 2/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC8 1/4885HDAC6 10/4885HDAC1 2/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC8 1/4885HDAC6 10/4885HDAC1 2/4885

“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.