SCHEMBL1503156

SCHEMBL1503156

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC3 O15379 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
CNR1 P21554 5/20 0.33
KDM5A P29375 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
PPARA Q07869 1/20 0.32
GCGR P47871 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32

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
SCHEMBL1503109 0.91 HDAC1 (0.47) MAOBHDAC1HDAC3HDAC2HDAC6
SCHEMBL15746652 0.89 MAOB (0.38) LRRK2MAOBMAOAKDM5AKDM5B
SCHEMBL1503203 0.88 L3MBTL1 (0.40) LRRK2HDAC1HDAC3HDAC2HDAC6
SCHEMBL1503249 0.87 MAOB (0.39) LRRK2MAOBMAOAHDAC1HDAC3
SCHEMBL1503220 0.83 GSK3B (0.41) MAOBHDAC1HDAC3HDAC2HDAC6
SCHEMBL12444361 0.83 ALDH1A1 (0.37) HDAC1HDAC3HDAC2HDAC6CNR1
SCHEMBL1503088 0.83 HDAC6 (0.40) HDAC1HDAC3HDAC2HDAC6
SCHEMBL2219007 0.81 SMPD1 (0.44) HDAC1HDAC3HDAC2HDAC6
SCHEMBL1503195 0.80 HCAR2 (0.36) HDAC1HDAC3HDAC2HDAC6
SCHEMBL4304552 0.80 KDM5A (0.40) MAOBHDAC1HDAC3HDAC2HDAC6

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 10 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
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-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

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 LRRK2 911/4885MAOB 40/4885MAOA 233/4885

“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.