SCHEMBL18935964

SCHEMBL18935964

Nc1c(Cl)cc(I)cc1I

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 5/20 0.52
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
TTR P02766 1/20 0.38
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2861514 0.86 CYP3A4 (0.58) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL612619 0.80 CA1 (0.48) CA1CA2CA9TTR
SCHEMBL14318817 0.79 CYP3A4 (0.65) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL2766389 0.79 CA1 (0.52) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL27837240 0.79 CYP3A4 (0.43) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL24929461 0.75 CA1 (0.48) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL2002230 0.75 CD44 (0.41) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL3825968 0.75 CA1 (0.48) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL20670572 0.75 CA1 (0.48) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL15286761 0.75 CA1 (0.48) CA1CA2CA9ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
EP-3178810-A1 CONDENSED HETEROCYCLIC COMPOUND Kasuma Partners Inc. (JP) 2017-06-14 EP disclosed
EP-3178810-A1 CONDENSED HETEROCYCLIC COMPOUND Kasuma Partners Inc. (JP) 2017-06-14 EP 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-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND APOB, NPC1, NPC1L1 CA1 3316/4885CA2 1894/4885CA9 2784/4885

“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.