SCHEMBL9977220

SCHEMBL9977220

O=C(O)CCCC(=O)NCC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PARP1 P09874 1/20 0.45
GSK3B P49841 2/20 0.44
HAO1 Q9UJM8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL6037940 0.84 HDAC8 (0.62) HDAC1HDAC8PARP1GSK3BHDAC3
SCHEMBL14982196 0.84 KMT2A (0.52) HDAC1HDAC8PARP1GSK3BALDH1A1
SCHEMBL17656309 0.83 GSK3B (0.46) HDAC1HDAC8PARP1GSK3BHAO1
SCHEMBL100781 0.81 HDAC1 (0.61) HDAC1HDAC8TDP1GSK3BHAO1
SCHEMBL20245203 0.81 HDAC1 (0.49) HDAC1HDAC8PARP1GSK3BALDH1A1
SCHEMBL11071677 0.81 KMT2A (0.54) HDAC1HDAC8GSK3BHAO1ALDH1A1
SCHEMBL9977223 0.80 SDCBP (0.56) HDAC1HDAC8PARP1MEN1KMT2A
SCHEMBL6138764 0.78 HDAC1 (0.66) HDAC1HDAC8TDP1GSK3BMAPT
SCHEMBL10187752 0.78 GSK3B (0.55) HDAC1HDAC8GSK3BHAO1ALDH1A1
SCHEMBL417812 0.77 KMT2A (0.62) HDAC1HDAC8PARP1GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (6 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 1234/4885HDAC8 1196/4885KDM4E 2496/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 1234/4885HDAC8 1196/4885KDM4E 2496/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 1234/4885HDAC8 1196/4885KDM4E 2496/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 1234/4885HDAC8 1196/4885KDM4E 2496/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 1234/4885HDAC8 1196/4885KDM4E 2496/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 1234/4885HDAC8 1196/4885KDM4E 2496/4885

“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.