SCHEMBL5116009

SCHEMBL5116009

NC(C(=O)OCc1ccccc1)c1nc(O)c(O)c(C(=O)NCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
ADORA2A P29274 2/20 0.42
PLAU P00749 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 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
SCHEMBL5118060 0.94 LMNA (0.47) MAPTADORA2APLAUHPGDALDH1A1
SCHEMBL5114308 0.94 THRB (0.41) S1PR4MAPTPOLBPLAUHPGD
SCHEMBL5127795 0.90 ADORA2A (0.43) MAPTADORA2AHPGDALDH1A1ADORA1
SCHEMBL5117310 0.88 SMN1; SMN2 (0.48) POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL5114012 0.88 HPGD (0.49) POLBHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL5253701 0.87 NPC1 (0.45) MAPTPOLBHPGDALDH1A1TP53
SCHEMBL5129741 0.87 PRSS1 (0.38) MAPTPOLBHPGDALDH1A1SMN1; SMN2
SCHEMBL5120961 0.86 CNR1 (0.45) HPGDCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL5121892 0.86 KCNA5 (0.50) MAPTADORA2AALDH1A1ADORA1KMT2A
SCHEMBL5130610 0.86 MAPT (0.45) MAPTPOLBHPGDALDH1A1TP53

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 S1PR4 2417/4885MAPT 3360/4885POLB 101/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP S1PR4 2229/4885MAPT 3326/4885POLB 112/4885

“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.