SCHEMBL29299952

SCHEMBL29299952

CCCN(/N=C\N)C(=O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MLYCD O95822 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
SCHEMBL103091 0.76 CA12 (0.37) CA12CA2CA9MLYCD
SCHEMBL29299960 0.75 CYP2D6 (0.36)
SCHEMBL9462283 0.66 CA12 (0.48) CA12CA2CA9MLYCD
SCHEMBL17702635 0.66 MLYCD (0.38) CA12CA2CA9MLYCD
SCHEMBL23008294 0.66 CA12 (0.30) CA12CA2
SCHEMBL2293885 0.65 MLYCD (0.37) CA12CA2CA9MLYCD
SCHEMBL9250268 0.65 MLYCD (0.37) CA12CA2CA9MLYCD
SCHEMBL13332903 0.63 CA12 (0.44) CA12CA2CA9MLYCD
SCHEMBL24370670 0.63 MLYCD (0.36) CA12CA2CA9MLYCD
SCHEMBL103983 0.63 TSHR (0.36) MLYCD

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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS CA12 2129/4885CA2 3406/4885CA9 3104/4885

“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.