SCHEMBL6099563

SCHEMBL6099563

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1CC1CCCN(S(=O)(=O)c2cccs2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 2/20 0.41
CYP19A1 P11511 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6098819 0.85 CYP19A1 (0.44) KDM4ESMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL6100663 0.72 CYP1B1 (0.39) KDM4EKMT2AALDH1A1CYP19A1
SCHEMBL12719695 0.69 ALDH1A1 (0.62) KDM4EMEN1KMT2AGAARAB9A
Hydrochloric Acid SCHEMBL1627701 0.68 ALDH1A1 (0.61) KDM4EMEN1KMT2AGAARAB9A
SCHEMBL5243826 0.66 MEN1 (0.72) KDM4EMEN1KMT2AGAARAB9A
SCHEMBL5244127 0.66 MEN1 (0.72) KDM4EMEN1KMT2AGAARAB9A
SCHEMBL5282637 0.66 MEN1 (0.72) KDM4EMEN1KMT2AGAARAB9A
SCHEMBL5246527 0.66 KDM4E (0.72) KDM4EMEN1KMT2AGAARAB9A
SCHEMBL30058940 0.65 MEN1 (0.57) KDM4EMEN1KMT2AGAARAB9A
SCHEMBL6099582 0.64 HTR6 (0.38) ALDH1A1PKM

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 KDM4E 4133/4885MEN1 4634/4885KMT2A 1121/4885

“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.