SCHEMBL4015817

SCHEMBL4015817

Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)[NH])ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MCL1 Q07820 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
GPR35 Q9HC97 1/20 0.46
GFER P55789 1/20 0.43
SRD5A2 P31213 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ECE1 P42892 2/20 0.40
LMNA P02545 2/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL3942262 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL4865021 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL12869805 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL4442228 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL27400764 0.77 MCL1 (0.57) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL6176386 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL6182307 0.76 MCL1 (0.56) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL4192746 0.73 MEN1 (0.58) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL6000176 0.73 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL14253159 0.71 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MCL1

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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 (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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS KDM4E 2576/4885ALDH1A1 2784/4885HPGD 3106/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 KDM4E 2663/4885ALDH1A1 1627/4885HPGD 2684/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 KDM4E 3075/4885ALDH1A1 1357/4885HPGD 2973/4885

“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.