SCHEMBL6697480

SCHEMBL6697480

Cc1ccc(C(N)=O)cc1.O=C(O)c1ccc2ccn(CCOc3ccccc3)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.45
MAPT P10636 1/20 0.44
MCL1 Q07820 1/20 0.43
KCNA5 P22460 1/20 0.43
GAA P10253 2/20 0.42
EIF4EBP1 Q13541 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN5A Q14524 2/20 0.40
SCN2A Q99250 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6702695 0.90 MEN1 (0.48) MCL1GAAEIF4EBP1MEN1HPGD
SCHEMBL6703386 0.90 PARP10 (0.43) PARP10MCL1GAAEIF4EBP1MEN1
SCHEMBL6697485 0.83 KCNA5 (0.48) MAPTKCNA5MEN1HPGDKMT2A
SCHEMBL6703820 0.81 MAPK1 (0.56) MAPTMCL1GAAMEN1HPGD
SCHEMBL2619364 0.80 HDAC6 (0.46) MAPTALDH1A1HTTMAPK1LMNA
SCHEMBL2118644 0.79 HDAC6 (0.46) MCL1GAAMEN1HPGDKMT2A
SCHEMBL2117041 0.76 HDAC6 (0.44) MCL1
SCHEMBL6192789 0.76 RHEB (0.44) MCL1PKM
SCHEMBL1609166 0.75 MCL1 (0.63) MCL1MAPK1PKMPOLBCASP6
SCHEMBL2117312 0.75 HDAC6 (0.45) MCL1

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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 PARP10 430/4885MAPT 2142/4885MCL1 1258/4885

“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.