SCHEMBL1503124

SCHEMBL1503124

COC(=O)c1ncc(C=O)c2c1OC(C)(C)OC2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.31
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
SCHEMBL13577658 0.83 MAOB (0.38) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL1503093 0.83 MAOB (0.38) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL12398991 0.82 KMT2A (0.48) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL1503145 0.82 MAOB (0.37) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL1503150 0.81 KMT2A (0.47) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL22738298 0.77 MAOB (0.34) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL22719914 0.76 KMT2A (0.43) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL2147314 0.76 ALDH1A1 (0.41) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL1503232 0.75 CCNA2 (0.36) MAOBKMT2AALDH1A1MAPK1MAPT
SCHEMBL30193078 0.73 KMT2A (0.40) MAOBKMT2AALDH1A1MAPK1MAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed
EP-3687538-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montreal Heart Institute (CA) 2020-08-05 EP disclosed
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-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
US-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US disclosed
US-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 US disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 US disclosed
WO-2011088549-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA INC. (CA) 2011-07-28 WO 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
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 (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 MAOB 141/4885KMT2A 2997/4885ALDH1A1 526/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB MAOB 40/4885KMT2A 1953/4885ALDH1A1 334/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD MAOB 141/4885KMT2A 2997/4885ALDH1A1 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.