SCHEMBL15024629

SCHEMBL15024629

CCNc1n[n+]([O-])c2cc(C)ccc2[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 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
SCHEMBL15008713 0.84 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL15008668 0.84 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL15008108 0.84 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL15024663 0.83 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL2776266 0.82 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL15009297 0.81 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL2776570 0.76 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
Diethylamine SCHEMBL6370111 0.75 MAPT (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL12355607 0.75 CYP1A2 (0.30)
SCHEMBL15024602 0.75 CA12 (0.56) CA12CA1CA2CA9

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-9663478-B2 Benzotriazine oxides as drugs targeting Mycobacterium tuberculosis SRI INTERNATIONAL (US) 2017-05-30 US disclosed
US-20130150369-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis SRI INTERNATIONAL (US) 2013-06-13 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-20130150369-A1 Benzotriazine Oxides as Drugs Targeting Mycobacterium Tuberculosis QDPR, TBCA, TBCD CA12 2505/4885CA1 4077/4885CA2 823/4885

“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.