SCHEMBL16745450

SCHEMBL16745450

O=C1C(Cl)=C(C2=C(O)C(=O)c3ncccc3C2=O)C(=O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 4/20 0.61
CDC25B P30305 3/20 0.61
PTPRC P08575 2/20 0.51
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
PTPN13 Q12923 1/20 0.51
NSD2 O96028 4/20 0.47
TDP2 O95551 2/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 2/20 0.47
BLM P54132 2/20 0.47
KMT2A Q03164 2/20 0.47
ABL1 P00519 1/20 0.47
PLCG1 P19174 1/20 0.47
CES1 P23141 1/20 0.47
PAX8 Q06710 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
IDO1 P14902 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
SCHEMBL16745449 0.89 S100A4 (0.77) S100A4CDC25BPTPRCCTSLCTSS
SCHEMBL16745426 0.86 APAF1 (0.58) CDC25BNSD2TDP2MEN1KMT2A
SCHEMBL1612462 0.77 S100A4 (1.00) S100A4CDC25BPTPRCCTSLCTSS
SCHEMBL31362908 0.77 S100A4 (1.00) S100A4CDC25BPTPRCCTSLCTSS
Bilawsone SCHEMBL30884954 0.75 APAF1 (0.75) S100A4CDC25BPTPRCTDP2MEN1
SCHEMBL29881216 0.75 IDO1 (0.75) S100A4CDC25BPTPRCNSD2TDP2
Bilawsone SCHEMBL3768549 0.75 APAF1 (0.75) S100A4CDC25BPTPRCTDP2MEN1
SCHEMBL16745430 0.75 IDO1 (0.75) S100A4CDC25BPTPRCNSD2TDP2
SCHEMBL1103717 0.73 GAA (0.78) S100A4CDC25BPTPRCCTSLCTSS
SCHEMBL29746876 0.73 GAA (0.78) S100A4CDC25BPTPRCCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481662-B2 Seriniquinones, melanoma-specific anticancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-01 US disclosed
US-9481662-B2 Seriniquinones, melanoma-specific anticancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-01 US disclosed
US-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 US disclosed
US-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 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 (1 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-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS SDHA, KLK3, BRDT S100A4 858/4885CDC25B 455/4885PTPRC 3222/4885

“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.