SCHEMBL1503272

SCHEMBL1503272

COc1ccc(COCc2cnc(C(=O)NOCc3ccccc3)c(O)c2CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
EGLN1 Q9GZT9 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ATM Q13315 1/20 0.36
VNN1 O95497 1/20 0.36

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
SCHEMBL2219007 0.87 SMPD1 (0.44) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL13577624 0.84 EGLN1 (0.40) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL12444335 0.84 HTT (0.40) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL22719925 0.82 EGLN2 (0.41) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL1503088 0.82 HDAC6 (0.40) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL13577662 0.79 EGLN1 (0.42) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL1503184 0.79 MAOB (0.44) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL1503211 0.79 KDM4E (0.37) RAB9AEGLN1ALDH1A1KDM4E
SCHEMBL12444361 0.76 ALDH1A1 (0.37) NPC1RAB9AEGLN1ALDH1A1HTT
SCHEMBL22719946 0.76 GAA (0.44) RAB9AALDH1A1MAPTLMNASMN1; SMN2

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 NPC1 3046/4885RAB9A 3692/4885EGLN1 3287/4885

“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.