SCHEMBL7576567

SCHEMBL7576567

O=C(C1=C(c2ccccc2)Nc2cc[nH]c(=O)c2C1c1ccc(F)c(Br)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
ABCC9 O60706 17/20 0.39
KCNJ11 Q14654 17/20 0.39
ABCC8 Q09428 13/20 0.39
KCNJ8 Q15842 13/20 0.39
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7017810 0.76 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7104091 0.76 ABCC9 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7573282 0.73 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7095927 0.72 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7099478 0.71 ABCC9 (0.41) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7104751 0.69 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL10659061 0.62 CACNA1B (0.42) KMT2A
SCHEMBL7752908 0.61 HPGD (0.58) KMT2A
SCHEMBL10786445 0.59 GAA (0.46)
SCHEMBL10786440 0.58 GAA (0.46) KMT2A

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-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US claimed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 CA12 4388/4885CA1 1310/4885CA2 1181/4885

“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.