SCHEMBL2146973

SCHEMBL2146973

O=C(NO)c1ncc([C@H](O)c2ccc(F)c(Cl)c2)c(CO)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR4 O95977 2/20 0.37
MDM2 Q00987 1/20 0.36
MAPK1 P28482 7/20 0.35
S1PR2 O95136 1/20 0.34
IDO1 P14902 2/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL2146946 1.00 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6S1PR1
SCHEMBL2146943 1.00 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6S1PR1
SCHEMBL2161375 0.84 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC6
SCHEMBL30954808 0.77 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL1503267 0.77 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL24065372 0.75 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL29829563 0.75 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL1503191 0.75 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL1503109 0.75 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL2146860 0.72 MAOA (0.40) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US claimed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US claimed
EP-2526091-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TaiMed Biologics, Inc. (TW) 2012-11-28 EP claimed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 US claimed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 US claimed
WO-2011088549-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA INC. (CA) 2011-07-28 WO claimed
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
EP-2526091-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TaiMed Biologics, Inc. (TW) 2012-11-28 EP disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HDAC3 3506/4885HDAC1 2628/4885HDAC2 3337/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD HDAC3 3506/4885HDAC1 2628/4885HDAC2 3337/4885

“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.