SCHEMBL6487492

SCHEMBL6487492

Cc1c(=O)c(C(C#Cc2ccccc2)c2ccc(C(=O)O)cc2)cn2ccoc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
VCP P55072 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6477535 0.82 KMT2A (0.32) KMT2AMEN1ALDH1A1HPGDATM
SCHEMBL6486971 0.66 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1HPGDATM
SCHEMBL6488688 0.65 KMT2A (0.34) KMT2AMEN1ALDH1A1HPGDATM
SCHEMBL6477202 0.65 KMT2A (0.34) KMT2AMEN1ALDH1A1HPGDATM
SCHEMBL8625450 0.64 SRD5A2 (0.47) VCP
SCHEMBL402518 0.59 RARB (0.62) CYP3A4
SCHEMBL9300890 0.58 MAPT (0.46) ALDH1A1HPGDVCPMAPT
SCHEMBL28533557 0.57 MAPT (0.42) ALDH1A1HPGDCYP3A4MAPTCYP2C9
Hydrochloric Acid SCHEMBL2707922 0.57 RARB (0.60) CYP3A4
SCHEMBL9578548 0.57 MAPT (0.43) KMT2AMEN1ALDH1A1HPGDCYP3A4

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-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 KMT2A 2335/4885MEN1 3457/4885ALDH1A1 251/4885

“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.