SCHEMBL5469849

SCHEMBL5469849

COC(=O)c1ccc2ccn(Cc3cccc(NS(C)(=O)=O)c3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL1608743 0.88 TCF4 (0.50) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1994742 0.87 HDAC6 (0.59) ALDH1A1SMN1; SMN2HDAC8HDAC6HDAC3
SCHEMBL4254306 0.84 HDAC8 (0.45) POLBALDH1A1SMN1; SMN2HDAC8HDAC6
SCHEMBL8685995 0.83 HDAC8 (0.60) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1607787 0.82 KDM4E (0.57) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1607852 0.80 ALDH1A1 (0.54) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8001926 0.80 KDM4E (0.54) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1179732 0.79 KDM4E (0.52) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6087416 0.77 HDAC8 (0.62) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6085688 0.77 HDAC1 (0.54) POLBKDM4EALDH1A1SMN1; SMN2HPGD

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 POLB 1814/4885KDM4E 275/4885ALDH1A1 1362/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 POLB 1814/4885KDM4E 275/4885ALDH1A1 1362/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 POLB 1814/4885KDM4E 275/4885ALDH1A1 1362/4885

“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.