SCHEMBL18653370

SCHEMBL18653370

C=Nc1ccc(-n2ccccc2=O)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
F10 P00742 9/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GALR3 O60755 1/20 0.32

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
SCHEMBL18755236 0.82 CA12 (0.34) CA12CA1CA2CA9CA14
SCHEMBL16014589 0.81 MIF (0.36) CA12CA1CA2CA9CA14
SCHEMBL8306979 0.76 METAP2 (0.48) CA12CA1CA2CA9CA14
SCHEMBL16014760 0.76 CYP3A4 (0.55) CA12CA1CA2CA9CA14
SCHEMBL18653366 0.75 F10 (0.37) CA12CA1CA2CA9CA14
SCHEMBL17358324 0.73 F10 (0.38) CA12CA1CA2CA9CA14
SCHEMBL2640132 0.72 F10 (0.59) F10
SCHEMBL3643249 0.72 ALDH1A1 (0.52)
SCHEMBL18755119 0.69 KDM4E (0.33) CA12CA1CA2CA9CA14
SCHEMBL92903 0.68 CA12 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 4192/4885CA1 4795/4885CA2 4807/4885

“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.