SCHEMBL1503295

SCHEMBL1503295

O=C(NO)c1ncc(CN(Cc2ccc(F)c(Cl)c2)C(=O)OCc2ccccc2)c(CO)c1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SCD O00767 1/20 0.36
EGFR P00533 4/20 0.35
ERBB2 P04626 4/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RAF1 P04049 1/20 0.34
MAP2K1 Q02750 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
TDO2 P48775 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
IDO1 P14902 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
SCHEMBL1503109 0.80 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC6SCD
SCHEMBL1503258 0.77 EGFR (0.41) HDAC3HDAC1HDAC6EGFRERBB2
SCHEMBL24065372 0.76 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL30954808 0.76 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC6EGFR
SCHEMBL1503267 0.76 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC6EGFR
SCHEMBL1503246 0.75 EGFR (0.36) HDAC3HDAC1HDAC2HDAC6EGFR
SCHEMBL2216328 0.75 EGFR (0.41) HDAC3HDAC1HDAC6EGFRERBB2
SCHEMBL1503088 0.73 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4304552 0.72 KDM5A (0.40) HDAC3HDAC1HDAC2HDAC6MAOB
SCHEMBL1503156 0.71 LRRK2 (0.37) HDAC3HDAC1HDAC2HDAC6MAOB

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 15 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
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO 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
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
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 HDAC3 830/4885HDAC1 1110/4885HDAC2 1810/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB HDAC3 4086/4885HDAC1 2694/4885HDAC2 3145/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB HDAC3 830/4885HDAC1 1110/4885HDAC2 1810/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB HDAC3 830/4885HDAC1 1110/4885HDAC2 1810/4885
US-11400082-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB HDAC3 830/4885HDAC1 1110/4885HDAC2 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.