SCHEMBL1503182

SCHEMBL1503182

NC(=O)c1ncc(O)c(CO)c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDXK O00764 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LCK P06239 1/20 0.33
LMNA P02545 1/20 0.32
ERBB2 P04626 1/20 0.31
PIM1 P11309 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1503144 0.80 NNMT (0.36) EGLN1KDM4EALDH1A1
SCHEMBL2160641 0.73 EGLN1 (0.38) EGLN1KDM4EALDH1A1LCKLMNA
SCHEMBL13577662 0.70 EGLN1 (0.42) EGLN1KDM4EALDH1A1PDXKLMNA
SCHEMBL17368433 0.69 TDP1 (0.34) EGLN1KDM4EALDH1A1PDXKHPGD
Acetic Acid SCHEMBL30471530 0.69 EGLN1 (0.38) EGLN1KDM4EALDH1A1LCKLMNA
SCHEMBL22283906 0.68 KDM4E (0.37) EGLN1KDM4EALDH1A1PDXKHPGD
SCHEMBL31501586 0.67 SIRT6 (0.39) EGLN1KDM4EALDH1A1LCKLMNA
SCHEMBL3443069 0.64 KDM4E (0.56) KDM4EALDH1A1PDXKHPGDHSD17B10
SCHEMBL3378144 0.64 LCK (0.36) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL4220452 0.64 KDM4E (0.41) EGLN1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102112447-B HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2013-06-26 CN claimed
CN-102834381-A Pyridoxine derivatives for the inhibition of HIV integrase TAIMED BIOLOG INC 2012-12-19 CN claimed
CN-102112447-A HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2011-06-29 CN claimed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US disclosed
CN-102112447-B HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2013-06-26 CN disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US disclosed
CN-102834381-A Pyridoxine derivatives for the inhibition of HIV integrase TAIMED BIOLOG INC 2012-12-19 CN disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 US disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
CN-102112447-A HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2011-06-29 CN disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 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 (3 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-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD EGLN1 3194/4885KDM4E 875/4885ALDH1A1 526/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB EGLN1 3287/4885KDM4E 1182/4885ALDH1A1 334/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD EGLN1 3194/4885KDM4E 875/4885ALDH1A1 526/4885

“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.