SCHEMBL5129189

SCHEMBL5129189

COc1cccc(OC)c1CNC(=O)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
ERCC1 P07992 2/20 0.43
FEN1 P39748 2/20 0.43
ERCC4 Q92889 2/20 0.43
HPGD P15428 2/20 0.42
XPO1 O14980 1/20 0.42
MAPT P10636 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL5120790 0.91 KDM4E (0.48) NPC1SMN1; SMN2RAB9APKMKDM4E
SCHEMBL5127695 0.89 HPGD (0.57) NPC1SMN1; SMN2RAB9APKMKDM4E
SCHEMBL5249122 0.88 ROCK2 (0.52) NPC1SMN1; SMN2RAB9APKMKDM4E
SCHEMBL5124254 0.85 KMT2A (0.57) SMN1; SMN2PKMKDM4EALDH1A1KMT2A
SCHEMBL5116109 0.85 KDM4E (0.49) NPC1SMN1; SMN2RAB9APKMKDM4E
SCHEMBL5118933 0.84 TRPV1 (0.53) SMN1; SMN2PKMKDM4EALDH1A1KMT2A
SCHEMBL5122436 0.84 ERCC1 (0.48) NPC1SMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL5123275 0.83 SMN1; SMN2 (0.60) NPC1SMN1; SMN2RAB9APKMKDM4E
SCHEMBL5128973 0.83 MAPT (0.50) NPC1SMN1; SMN2RAB9APKMKDM4E
SCHEMBL5122030 0.83 MAPT (0.59) NPC1SMN1; SMN2RAB9APKMKDM4E

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 NPC1 2830/4885SMN1; SMN2 4143/4885RAB9A 3221/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP NPC1 3019/4885SMN1; SMN2 4190/4885RAB9A 3288/4885

“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.