SCHEMBL5795396

SCHEMBL5795396

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(I)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ATM Q13315 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.34
HTR2C P28335 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 2/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
UBE2N P61088 1/20 0.33

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
SCHEMBL6101670 0.90 KDM4E (0.42) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL5767865 0.84 KCNN4 (0.46) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL6101735 0.84 MAPT (0.55) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL6098180 0.84 UBE2N (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5767355 0.84 KDM4E (0.43) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL6101383 0.83 CA1 (0.40) KMT2AMEN1HPGDALDH1A1FAAH
SCHEMBL6102290 0.81 KMT2A (0.39) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL5769090 0.81 KCNN4 (0.51) KDM4EMAPTALDH1A1ATMSMN1; SMN2
SCHEMBL5768848 0.80 MAP4K4 (0.41) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL6102966 0.79 EPHX2 (0.43) KDM4EKMT2AMEN1HPGDATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO 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 4133/4885MAPT 4622/4885MAPK1 1746/4885

“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.