SCHEMBL25530877

SCHEMBL25530877

Cc1cc(-[n+]2ccccc2C)cn1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
BCL2 P10415 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
SCHEMBL30425848 0.72 SMN1; SMN2 (0.48) CA12CA1CA2CA9CA14
SCHEMBL1263770 0.72 SMN1; SMN2 (0.48) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL636847 0.72 SMN1; SMN2 (0.48) CA12CA1CA2CA9CA14
Bromide SCHEMBL637005 0.70 SMN1; SMN2 (0.47) CA12CA1CA2CA9CA14
SCHEMBL26186710 0.68 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL7262939 0.66 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL26806792 0.65 CA12 (0.46) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL6919283 0.62 CA12 (0.38) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL31750726 0.62 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL29913142 0.62 CA12 (0.48) 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-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 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-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 CA12 511/4885CA1 2195/4885CA2 2333/4885

“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.