SCHEMBL1503109

SCHEMBL1503109

O=C(NO)c1ncc(COCc2ccc(F)c(Cl)c2)c(CO)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
MAOB P27338 1/20 0.37
PIK3CA P42336 1/20 0.36
IDO1 P14902 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
SCD O00767 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
SCN9A Q15858 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
SMPD1 P17405 1/20 0.33

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
SCHEMBL1503156 0.91 LRRK2 (0.37) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL4304552 0.90 KDM5A (0.40) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL24065372 0.86 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2PIK3CA
SCHEMBL30954808 0.85 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL1503267 0.85 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL1503203 0.85 L3MBTL1 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL22719946 0.84 GAA (0.44) HDAC1HDAC6HDAC3HDAC2MAPK1
SCHEMBL27833091 0.82 KDM5A (0.39) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL1503220 0.81 GSK3B (0.41) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL12444361 0.81 ALDH1A1 (0.37) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US 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
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 (1 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB HDAC1 2694/4885HDAC6 4827/4885HDAC3 4086/4885

“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.