SCHEMBL5769757

SCHEMBL5769757

O=C1c2c(c(O)c3ncccc3c2O)C(=O)N1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
HTT P42858 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
USP2 O75604 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
PTGER4 P35408 1/20 0.45
KDM4E B2RXH2 8/20 0.41
KDM6B O15054 1/20 0.41
KDM6A O15550 1/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41

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
SCHEMBL5768327 0.86 KDM4E (0.48) MEN1KMT2AHTTSMN1; SMN2USP2
SCHEMBL5793779 0.82 KMT2A (0.55) MEN1KMT2AHTTSMN1; SMN2USP2
SCHEMBL5768906 0.80 HTT (0.44) MEN1KMT2AHTTSMN1; SMN2USP2
SCHEMBL6101029 0.77 MAPT (0.46) MEN1KMT2AHTTSMN1; SMN2USP2
SCHEMBL6100137 0.77 KDM4E (0.48) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL1684227 0.73 CDK4 (0.48) MEN1KMT2AHTTSMN1; SMN2USP2
SCHEMBL13313359 0.73 KDM4E (0.47) MEN1KMT2AHTTSMN1; SMN2USP2
SCHEMBL5769747 0.72 ALDH1A1 (0.52) MEN1KMT2AHTTSMN1; SMN2USP2
SCHEMBL6101228 0.71 MGLL (0.42) MEN1KMT2APTGER4HPGDCYP2C19
SCHEMBL6101808 0.70 HSP90AA1 (0.40) MEN1KMT2AHTTSMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US claimed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP claimed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO claimed
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 MEN1 4634/4885KMT2A 1121/4885HTT 2580/4885

“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.