SCHEMBL6852408

SCHEMBL6852408

N#Cc1ccc(NCCCCc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 3/20 0.47
CA4 P22748 1/20 0.47
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LSS P48449 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
CNR1 P21554 1/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5621995 0.97 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2964166 0.78 BRD4 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5516545 0.77 ALDH1A1 (0.44) CA1CA2ALDH1A1GAAABCG2
SCHEMBL11470006 0.76 MAPT (0.54) ALDH1A1GAAABCG2TSHRHSD17B10
SCHEMBL17295222 0.76 MAOB (0.46) CYP19A1ABCG2CNR1SAE1UBA2
SCHEMBL5712397 0.75 PRSS1 (0.46) CA1CA2ALDH1A1GAAABCG2
SCHEMBL5712390 0.75 PRSS1 (0.46) CA1CA2ALDH1A1GAAABCG2
SCHEMBL6418566 0.75 PRSS1 (0.46) CA1CA2ALDH1A1GAAABCG2
SCHEMBL1894004 0.75 CA2 (0.55) CA12CA1CA2CA9CYP19A1
SCHEMBL30446884 0.75 CA2 (0.57) CA12CA1CA2CA7CA9

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-20040039199-A1 Oxabispidine compound useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-02-26 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-20040039199-A1 Oxabispidine compound useful in the treatment of cardiac arrhythmias KCNH1, CACNA1C, CACNA1S CA12 3633/4885CA1 1689/4885CA2 917/4885

“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.