SCHEMBL2220449

SCHEMBL2220449

O=C(NO)c1ncccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.47
HDAC1 Q13547 6/20 0.47
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 4/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 2/20 0.42
EGLN2 Q96KS0 1/20 0.41
FTO Q9C0B1 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2160307 0.84 PARP1 (0.51) KDM4EMAPTCYP1A2KMT2AEGLN2
SCHEMBL2161057 0.80 KMT2A (0.44) KDM4EMAPTCYP1A2KMT2ATRPV1
SCHEMBL990359 0.79 KDM4E (0.70) KDM4EMAPTCYP1A2KMT2AEGLN2
SCHEMBL5564675 0.79 KDM4E (0.51) KDM4ECYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL13118201 0.78 KDM4E (0.49) KDM4EMAPTCYP1A2KMT2ATRPV1
SCHEMBL1503132 0.78 KDM4E (0.49) KDM4EMAPTCYP1A2KMT2AEGLN2
SCHEMBL28677368 0.77 L3MBTL1 (0.57) KDM4EMAPTCYP1A2KMT2AL3MBTL1
SCHEMBL8328679 0.76 KDM4E (0.54) HDAC6HDAC1KDM4EMAPTKMT2A
SCHEMBL27780749 0.76 TLR7 (0.46) HDAC6HDAC1HDAC3HDAC2KDM4E
SCHEMBL29010716 0.75 NAAA (0.52) KDM4EL3MBTL1ALDH1A1TSHRLMNA

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 4 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 disclosed
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montréal Heart Institute (CA) 2023-03-23 US disclosed
EP-3687538-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montreal Heart Institute (CA) 2020-08-05 EP 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 (3 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 HDAC6 4827/4885HDAC1 2694/4885HDAC3 4086/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB HDAC6 1923/4885HDAC1 1110/4885HDAC3 830/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB HDAC6 1923/4885HDAC1 1110/4885HDAC3 830/4885

“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.