SCHEMBL6099694

SCHEMBL6099694

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.41
CA9 Q16790 5/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CCR9 P51686 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSB P07858 1/20 0.36
FEN1 P39748 1/20 0.35
CA7 P43166 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 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
SCHEMBL5766292 0.86 CA12 (0.41) CA9CA12CA1CA2ALDH1A1
SCHEMBL6101383 0.85 CA1 (0.40) CA9CA12CA1CA2ALDH1A1
SCHEMBL4150996 0.85 CYP1A2 (0.51) CA9CA12CA1CA2ALDH1A1
SCHEMBL6102631 0.85 CHRM5 (0.41) CA9CA12CA1CA2CA7
SCHEMBL6099606 0.85 GAA (0.41) CA9CA12CA1CA2MEN1
SCHEMBL6101670 0.83 KDM4E (0.42) CA9CA12CA1CA2ALDH1A1
SCHEMBL5793964 0.82 FAAH (0.49) CA9CA12CA1CA2ALDH1A1
SCHEMBL5768146 0.82 KDM4E (0.52) CYP1B1ALDH1A1KDM4EMEN1HPGD
SCHEMBL6100789 0.81 CMA1 (0.53) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL5767183 0.81 KMT2A (0.46) CA9CA12CA1CA2ALDH1A1

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 CYP1B1 23/4885CA9 1900/4885CA12 4585/4885

“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.