SCHEMBL1503195

SCHEMBL1503195

O=C(NO)c1ncc(COCCc2ccc(F)cc2)c(CO)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC6 Q9UBN7 3/20 0.33
EGLN1 Q9GZT9 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
FFAR1 O14842 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
SCHEMBL1503203 0.90 L3MBTL1 (0.40) HDAC1HDAC6EGLN1HDAC3HDAC2
SCHEMBL4306646 0.89 HCAR2 (0.35) HCAR2KMT2AFFAR1FFAR4
SCHEMBL1503241 0.88 HDAC1 (0.39) HDAC1HDAC6EGLN1HDAC3HDAC2
SCHEMBL2146957 0.84 HDAC6 (0.37) HDAC1HDAC6EGLN1HDAC3HDAC2
SCHEMBL1503250 0.83 MMP1 (0.39) EGLN1KMT2AFFAR1FFAR4
SCHEMBL30954811 0.83 MMP1 (0.39) EGLN1KMT2AFFAR1FFAR4
SCHEMBL1503238 0.83 HDAC1 (0.49) HDAC1HDAC3HDAC2KMT2AHDAC8
SCHEMBL1503152 0.82 BCHE (0.35) KMT2A
SCHEMBL1503220 0.81 GSK3B (0.41) HDAC1HDAC6HDAC3HDAC2KMT2A
SCHEMBL12516709 0.81 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2KMT2A

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 9 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
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
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 HCAR2 2013/4885HDAC1 2694/4885HDAC6 4827/4885

“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.