SCHEMBL2219007

SCHEMBL2219007

COc1ccc(COCc2cnc(C(=O)NO)c(O)c2CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.44
HTT P42858 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HDAC1 Q13547 6/20 0.39
KDM1A O60341 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 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
SCHEMBL12444335 0.90 HTT (0.40) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL12444361 0.89 ALDH1A1 (0.37) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL22719925 0.89 EGLN2 (0.41) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL13577624 0.88 EGLN1 (0.40) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL29829420 0.88 SMPD1 (0.45) SMPD1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1503272 0.87 NPC1 (0.52) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL1503203 0.86 L3MBTL1 (0.40) ALDH1A1KDM4ELMNAMAPTEGLN1
SCHEMBL1503088 0.86 HDAC6 (0.40) SMPD1HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1503184 0.85 MAOB (0.44) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL22719946 0.81 GAA (0.44) ALDH1A1SMN1; SMN2LMNAMAPTHDAC1

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-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

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 SMPD1 405/4885HTT 3832/4885ALDH1A1 568/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB SMPD1 2235/4885HTT 4788/4885ALDH1A1 334/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB SMPD1 405/4885HTT 3832/4885ALDH1A1 568/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB SMPD1 405/4885HTT 3832/4885ALDH1A1 568/4885
US-11400082-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB SMPD1 405/4885HTT 3832/4885ALDH1A1 568/4885

“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.