SCHEMBL10201884

SCHEMBL10201884

COC(=O)c1c(CBr)cccc1N=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL9544732 0.85 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL13979861 0.83 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL27830125 0.82 CA1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL19731338 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2876253 0.79 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL28104569 0.79 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL4074676 0.79 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1424324 0.79 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL14352049 0.78 HDAC1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL484670 0.78 LMNA (0.49) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207153-B2 Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-06-26 US disclosed
US-20100256168-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-10-07 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-20100256168-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CA12 4880/4885CA1 4510/4885CA2 3344/4885

“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.