SCHEMBL1503267

SCHEMBL1503267

O=C(NO)c1ncc(COc2ccc(F)c(Cl)c2)c(CO)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
SCN9A Q15858 4/20 0.40
SCN5A Q14524 1/20 0.39
MAOB P27338 2/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL30954808 1.00 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC6SCN9A
SCHEMBL22738223 0.92 SCN9A (0.41) SCN9ASCN5AMAOBNPC1MAPT
SCHEMBL1503300 0.91 ADAMTS4 (0.37) HDAC1HDAC3HDAC2HDAC6SCN9A
SCHEMBL4304503 0.89 PPARG (0.41) SCN9ASCN5AMAOBNPC1MAPT
SCHEMBL2220322 0.88 ALDH1A1 (0.40) HDAC1SCN9ASCN5AMAOBNPC1
SCHEMBL22719900 0.88 GRIN1 (0.40) SCN9ASCN5AEGLN1
SCHEMBL22738285 0.88 MEN1 (0.40) HDAC3SCN9ASCN5ANPC1MAPT
SCHEMBL22719903 0.87 GRIN1 (0.43) SCN9ASCN5AMAPTEGLN2EGLN1
SCHEMBL1503136 0.87 SCN9A (0.42) HDAC1HDAC3HDAC2HDAC6SCN9A
SCHEMBL1503109 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC6SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931348-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2024-03-19 US claimed
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-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP disclosed
US-11931348-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2024-03-19 US disclosed
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montréal Heart Institute (CA) 2023-03-23 US 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-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2021-12-02 US 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-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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB HDAC1 2694/4885HDAC3 4086/4885HDAC2 3145/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB HDAC1 1110/4885HDAC3 830/4885HDAC2 1810/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB HDAC1 1110/4885HDAC3 830/4885HDAC2 1810/4885
US-11400082-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB HDAC1 1110/4885HDAC3 830/4885HDAC2 1810/4885

“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.