SCHEMBL6674873

SCHEMBL6674873

NC(=O)c1ccc(Nc2nc(Cl)nc(NCCCC(=O)O)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.53
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
CA9 Q16790 7/20 0.53
CA14 Q9ULX7 6/20 0.53
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
NR1I2 O75469 1/20 0.48
AHR P35869 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MMP2 P08253 1/20 0.44

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
SCHEMBL13852882 0.83 POLB (0.61) CA12CA1CA2CA9CA14
SCHEMBL13852881 0.82 CA1 (0.52) CA12CA1CA2CA9CA14
SCHEMBL6673841 0.80 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL4602639 0.74 KMT2A (0.55) CA12CA1CA2CA9CA14
SCHEMBL8972515 0.74 KCNH3 (0.71) CA12CA1CA2CA9CA14
SCHEMBL14374438 0.74 POLB (0.54) CA12CA1CA2CA9CA14
SCHEMBL304437 0.73 POLB (0.63) CA12CA1CA2CA9CA14
SCHEMBL3131322 0.72 KDM4E (0.53) CA12CA1CA2CA9CA14
SCHEMBL12445529 0.72 KCNH3 (0.63) CA12CA1CA2CA9CA14
SCHEMBL10516787 0.72 KMT2A (0.51) CA12CA1CA2CA9CA14

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-20100203650-A1 BIOMOLECULE BINDING LIGANDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-08-12 US disclosed
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-08-12 US disclosed
WO-2004035199-A1 AFFINITY ADSORBENTS FOR IMMUNOGLOBULINS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2004-04-29 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-20100203650-A1 BIOMOLECULE BINDING LIGANDS C3AR1, GRB7, C1R CA12 2315/4885CA1 2803/4885CA2 4376/4885

“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.