SCHEMBL92903

SCHEMBL92903

O=Nc1ccc(-n2ccccc2=O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
F10 P00742 5/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL29349036 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL29349037 0.78 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL8306550 0.78 MAP3K5 (0.40) CA12CA1CA2CA9CA14
SCHEMBL19817380 0.76 PTGS1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL13890715 0.74 ALDH1A1 (0.39) CA12CA1CA2CA9CA14
SCHEMBL15212468 0.74 OPRM1 (0.41) CA1CA2F10KDM4E
SCHEMBL15212518 0.74 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL31068240 0.73 ALDH1A1 (0.52)
SCHEMBL85596 0.73 ALDH1A1 (0.52)
SCHEMBL12544980 0.70 F10 (0.38) F10

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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX CA12 1090/4885CA1 1847/4885CA2 2538/4885

“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.