SCHEMBL4729976

SCHEMBL4729976

CON=C1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC12CNC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TOP2A P11388 6/20 0.48
TOP2B Q02880 6/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM2 P08172 2/20 0.46
CHRM1 P11229 1/20 0.46
OPRD1 P41143 1/20 0.46
DRD1 P21728 1/20 0.45

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
SCHEMBL7162212 1.00 KCNH2 (0.51) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7163020 0.94 ALDH1A1 (0.55) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5086294 0.94 ALDH1A1 (0.55) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4729956 0.91 KCNH2 (0.53) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7160246 0.91 KCNH2 (0.53) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5083807 0.86 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9426157 0.86 KDM4E (0.60) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7164343 0.86 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL7162664 0.86 KCNH2 (0.46) KCNH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5261868 0.85 KCNH2 (0.57) KCNH2ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-6552196-B2 Quinolone carboxylic acid derivatives DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 2003-04-22 US disclosed
US-20020035258-A1 Quinolone carboxylic acid derivatives DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. 2002-03-21 US disclosed
EP-0994878-B1 QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2001-11-28 EP disclosed
US-6313299-B1 ANTIBACTERIAL AGENTS EFFECTIVE AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS AND STREPTOCOCCUS; 1,8-NAPHTHRYDINE DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 2001-11-06 US disclosed
EP-0994878-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2000-04-26 EP disclosed
WO-1999000393-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1999-01-07 WO 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-20020035258-A1 Quinolone carboxylic acid derivatives QARS1, QPCT, CNOT1 KCNH2 1605/4885ALDH1A1 985/4885KDM4E 2499/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN KCNH2 2190/4885ALDH1A1 2348/4885KDM4E 3242/4885

“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.