SCHEMBL27439284

SCHEMBL27439284

CCOc1cc(CCNC(N)=O)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
KMT2A Q03164 4/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
MEN1 O00255 2/20 0.56

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
SCHEMBL21621323 0.92 MTNR1A (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL8099685 0.90 CA1 (0.73) CA12CA1CA2CA9KMT2A
SCHEMBL10310254 0.86 KMT2A (0.59) CA12CA1CA2CA9KMT2A
SCHEMBL6987265 0.84 KMT2A (0.57) CA12CA1CA2CA9KMT2A
SCHEMBL9269689 0.83 KMT2A (0.59) KMT2ALMNAMAPTALDH1A1HPGD
SCHEMBL31467954 0.83 MTNR1A (0.62) CA12CA1CA2CA9KMT2A
SCHEMBL6478319 0.83 KMT2A (0.62) KMT2ALMNAMAPTTP53THRB
SCHEMBL21621330 0.82 KMT2A (0.58) CA12CA1CA2CA9KMT2A
SCHEMBL10310313 0.82 KMT2A (0.62) CA12CA1CA2CA9KMT2A
SCHEMBL11446232 0.81 KMT2A (0.67) KMT2ALMNAALDH1A1SMN1; SMN2MEN1

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-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 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-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF CYP4A11, CYP11B2, NQO1 CA12 4154/4885CA1 3724/4885CA2 2727/4885

“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.