SCHEMBL5113683

SCHEMBL5113683

COc1cccc(CNC(=O)c2nc(C(C)c3ccccc3)nc(O)c2O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MMP13 P45452 2/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.47
PTGER4 P35408 1/20 0.47
MAOB P27338 1/20 0.46
ROCK2 O75116 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PRKACA P17612 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PRKX P51817 1/20 0.46

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
SCHEMBL5129521 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MMP13LMNAHTTRAB9A
SCHEMBL5118686 0.88 SMN1; SMN2 (0.49) SMN1; SMN2MMP13LMNAHTTRAB9A
SCHEMBL5122592 0.88 EGLN1 (0.54) SMN1; SMN2HPGDALDH1A1CYP2D6POLB
SCHEMBL5124158 0.85 TAS1R3 (0.51) SMN1; SMN2LMNAHTTHPGDKDM4E
SCHEMBL5129530 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MMP13LMNAHTTRAB9A
SCHEMBL5129380 0.83 MMP13 (0.51) SMN1; SMN2MMP13LMNAHTTHPGD
SCHEMBL5250403 0.83 NPC1 (0.47) SMN1; SMN2MMP13LMNAHTTRAB9A
SCHEMBL5113400 0.83 THRB (0.49) SMN1; SMN2MMP13LMNAHTTRAB9A
SCHEMBL5117310 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MMP13LMNAHTTRAB9A
SCHEMBL5129804 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MMP13LMNAHTTRAB9A

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 11 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-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-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-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-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
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 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 SMN1; SMN2 4143/4885MMP13 4424/4885LMNA 4057/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP SMN1; SMN2 4190/4885MMP13 4306/4885LMNA 4198/4885

“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.