SCHEMBL1503191

SCHEMBL1503191

O=C(NCc1ccc(F)c(Cl)c1)c1cnc(C(=O)NO)c(O)c1CO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC7 Q8WUI4 1/20 0.41
MAPK1 P28482 4/20 0.40
PPARG P37231 2/20 0.40
WDR5 P61964 1/20 0.40
CNR2 P34972 1/20 0.39
PIK3CA P42336 1/20 0.38
IDO1 P14902 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NR3C1 P04150 1/20 0.37
MMP13 P45452 1/20 0.37
MT-CO2 P00403 1/20 0.37
PTGER4 P35408 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL29829563 1.00 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL1503197 0.91 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL27908402 0.91 MET (0.43) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL29829522 0.91 MET (0.43) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL12516725 0.88 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC6MAPK1
SCHEMBL1503149 0.85 KMT2A (0.48) HDAC1HDAC6EGLN1
SCHEMBL24065372 0.84 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL12516706 0.83 MET (0.41) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL12515769 0.81 HDAC1 (0.51) HDAC1HDAC6
SCHEMBL12516286 0.80 HPGD (0.50) HDAC1HDAC3HDAC2HDAC6MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP disclosed
US-11400082-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2022-08-02 US disclosed
US-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2021-12-02 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-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
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 (5 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-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB HDAC1 1110/4885HDAC3 830/4885HDAC2 1810/4885
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD HDAC1 2628/4885HDAC3 3506/4885HDAC2 3337/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB HDAC1 2694/4885HDAC3 4086/4885HDAC2 3145/4885
US-11400082-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB HDAC1 1110/4885HDAC3 830/4885HDAC2 1810/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD HDAC1 2628/4885HDAC3 3506/4885HDAC2 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.