SCHEMBL4933924

SCHEMBL4933924

O=c1c(=O)c2ccc(-c3cccs3)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
PGR P06401 1/20 0.47
SLC6A11 P48066 1/20 0.47
ERN1 O75460 1/20 0.46
CHEK1 O14757 3/20 0.44
PRKDC P78527 2/20 0.44
LTA4H P09960 1/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
NR4A2 P43354 1/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC3 O15379 3/20 0.41
ALK Q9UM73 1/20 0.40
GPR17 Q13304 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
SCHEMBL14302816 0.89 DPP4 (0.45) KCNH2PGRSLC6A11ERN1CHEK1
SCHEMBL12319844 0.81 KCNH2 (0.44) KCNH2PGRSLC6A11ERN1PRKDC
SCHEMBL12402896 0.80 KCNH2 (0.57) KCNH2PGRSLC6A11ERN1CHEK1
SCHEMBL23954203 0.79 KCNH2 (0.47) KCNH2PGRSLC6A11ERN1CHEK1
SCHEMBL13615853 0.79 KCNH2 (0.55) KCNH2PGRSLC6A11ERN1CHEK1
SCHEMBL12405261 0.77 KCNH2 (0.53) KCNH2PGRSLC6A11ERN1CHEK1
SCHEMBL14579976 0.76 SNCA (0.43) PGR
SCHEMBL13009526 0.75 MAOB (0.37)
SCHEMBL13615737 0.74 KCNH2 (0.50) KCNH2PGRSLC6A11ERN1LTA4H
SCHEMBL13615898 0.74 KCNH2 (0.50) KCNH2PGRSLC6A11ERN1LTA4H

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-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials ALBION LABORATORIES, INC. (US) 2008-10-09 US claimed
WO-2006034195-A2 QUANTITATIVE AND QUALITATIVE CHELATION MEASURING METHODS AND MATERIALS ALBION LABORATORIES, INC. (US) 2006-03-30 WO claimed
US-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials ALBION LABORATORIES, INC. (US) 2008-10-09 US disclosed
US-7179306-B2 Process for dying keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-7179306-B2 Process for dying keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative L'OREAL S.A. (FR) 2007-02-20 US disclosed
WO-2006034195-A2 QUANTITATIVE AND QUALITATIVE CHELATION MEASURING METHODS AND MATERIALS ALBION LABORATORIES, INC. (US) 2006-03-30 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 (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-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials AAAS, LIG4, HAMP KCNH2 2756/4885PGR 2369/4885SLC6A11 3433/4885

“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.