SCHEMBL6567317

SCHEMBL6567317

NCc1cn(CC(=O)O)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TBXAS1 P24557 1/20 0.58
KMT2A Q03164 2/20 0.57
STAT3 P40763 1/20 0.57
KDM4E B2RXH2 5/20 0.55
MCL1 Q07820 2/20 0.54
ALOX5 P09917 1/20 0.54
MAPT P10636 2/20 0.51
GFER P55789 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HTR6 P50406 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL8021536 0.89 MCL1 (0.60) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL1520240 0.87 TBXAS1 (0.64) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL18180209 0.85 CDC25A (0.63) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL12874520 0.85 KMT2A (0.66) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL9701519 0.83 KMT2A (0.60) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL29552404 0.82 ALDH1A1 (0.65) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL22188707 0.82 ALDH1A1 (0.65) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL22188706 0.82 ALDH1A1 (0.65) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL22061003 0.80 ALDH1A1 (0.62) ALDH1A1TBXAS1KMT2ASTAT3KDM4E
SCHEMBL30979650 0.80 ALDH1A1 (0.55) ALDH1A1TBXAS1KMT2ASTAT3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242854-A1 Chemical capture reagent GE HEALTHCARE UK LIMITED (GB) 2004-12-02 US claimed
EP-1402268-A2 CHEMICAL CAPTURE REAGENT Amersham Biosciences UK Limited (GB) 2004-03-31 EP claimed
WO-2003005026-A2 CHEMICAL CAPTURE REAGENT AMERSHAM BIOSCIENCES UK LIMITED (GB) 2003-01-16 WO claimed

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-20040242854-A1 Chemical capture reagent SPPL2B, PRXL2A, PLG ALDH1A1 2055/4885TBXAS1 2922/4885KMT2A 4408/4885

“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.