SCHEMBL4573733

SCHEMBL4573733

O=S(=O)(NC1CCNC1)c1c[c]ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL4573288 0.92 ALDH1A1 (0.48) ALDH1A1L3MBTL1BRD4BRD2BRD3
SCHEMBL15018957 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1BRD4
SCHEMBL15698601 0.84 ALOX5AP (0.42) HDAC4BRD4BRD2BRD3ALOX5AP
SCHEMBL17269851 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1HDAC4BRD4BRD2
SCHEMBL15698678 0.76 WNT3 (0.43) ALDH1A1L3MBTL1BRD4BRD2BRD3
SCHEMBL4573350 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL2336900 0.72 HDAC4 (0.52) HDAC4NAMPT
SCHEMBL15915474 0.70 MAPT (0.66) ALDH1A1L3MBTL1HDAC4ALOX5APFEN1
SCHEMBL15915476 0.70 MAPT (0.66) ALDH1A1L3MBTL1HDAC4ALOX5APFEN1
SCHEMBL4573343 0.69 STS (0.53) ALDH1A1L3MBTL1BRD4

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP ALDH1A1 1142/4885L3MBTL1 2661/4885HDAC4 3964/4885

“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.