SCHEMBL1503184

SCHEMBL1503184

CCOC(=O)c1ncc(COCc2ccc(OC)cc2)c(CO)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
TARBP2 Q15633 2/20 0.40
PDCD4 Q53EL6 1/20 0.40
ALDH1A1 P00352 4/20 0.40

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
SCHEMBL12444335 0.90 HTT (0.40) ALDH1A1TBXAS1MAPTSMN1; SMN2NPC1
SCHEMBL22283911 0.86 NPC1 (0.39) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL13577624 0.86 EGLN1 (0.40) MAOBALDH1A1TBXAS1MAPTSMN1; SMN2
SCHEMBL2219007 0.85 SMPD1 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL22719925 0.82 EGLN2 (0.41) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL1503272 0.79 NPC1 (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12444334 0.79 EGLN1 (0.41) MAOBALDH1A1TBXAS1MAPTSMN1; SMN2
SCHEMBL12444361 0.76 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL22283896 0.75 EGLN1 (0.47) MAOBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL29829420 0.75 SMPD1 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 8 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-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 MAOB 40/4885GABRA1 2260/4885GABRG2 3466/4885

“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.