SCHEMBL5127795

SCHEMBL5127795

NC(C(=O)OCc1ccccc1)c1nc(O)c(O)c(C(=O)NCc2cccc3ccccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
CASP1 P29466 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5116009 0.90 S1PR4 (0.43) ADORA2AADORA1ALDH1A1CYP1A2HPGD
SCHEMBL5253701 0.86 NPC1 (0.45) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL5120961 0.85 CNR1 (0.45) CYP1A2HPGDCYP2C19KMT2AMEN1
SCHEMBL5123176 0.85 MAOB (0.45) ALDH1A1HPGDHSD17B10KMT2AMEN1
SCHEMBL5114308 0.85 THRB (0.41) ALDH1A1HPGDMAPT
SCHEMBL5118060 0.85 LMNA (0.47) ADORA2AADORA1ALDH1A1CYP1A2HPGD
SCHEMBL5130610 0.84 MAPT (0.45) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL5117310 0.83 SMN1; SMN2 (0.48) ALDH1A1HPGD
SCHEMBL5121892 0.83 KCNA5 (0.50) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL5114012 0.83 HPGD (0.49) ALDH1A1HPGDHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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 (2 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP ADORA2A 2099/4885ADORA1 981/4885PRSS1 230/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ADORA2A 1965/4885ADORA1 1036/4885PRSS1 216/4885

“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.