SCHEMBL5769090

SCHEMBL5769090

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.51
ATM Q13315 1/20 0.51
CA9 Q16790 2/20 0.46
BRD4 O60885 1/20 0.46
CA12 O43570 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NLRP3 Q96P20 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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 0.87 KDM4E (0.42) ATMCA9CA12SMN1; SMN2CA1
SCHEMBL6098180 0.84 UBE2N (0.45) CA9CA12SMN1; SMN2CA1CA2
SCHEMBL6102056 0.82 KCNN4 (0.51) KCNN4ATMBRD4SMN1; SMN2KDM4E
SCHEMBL5767355 0.81 KDM4E (0.43) ATMCA9BRD4CA12SMN1; SMN2
SCHEMBL5795396 0.81 KDM4E (0.38) ATMSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL5767865 0.81 KCNN4 (0.46) KCNN4CA9CA12SMN1; SMN2CA2
SCHEMBL6101735 0.81 MAPT (0.55) ATMSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL6102290 0.78 KMT2A (0.39) ATMBRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL5768848 0.77 MAP4K4 (0.41) ATMBRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL5767322 0.77 ALDH1A1 (0.37) KCNN4CA9CA12CA1CA2

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 KCNN4 4777/4885ATM 4786/4885CA9 1900/4885

“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.