SCHEMBL3212436

SCHEMBL3212436

CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CLEC4M Q9H2X3 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3221048 0.85 MEN1 (0.46) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL15413118 0.79 KMT2A (0.54) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7005859 0.74 GRIN2D (0.41) POLBALDH1A1
SCHEMBL16654889 0.74 GRIN2D (0.50) MEN1KMT2AALDH1A1
SCHEMBL987100 0.73 ALDH1A1 (0.50) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL27483315 0.73 SMN1; SMN2 (0.46) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7017757 0.73 KDM4E (0.60) KMT2APOLBALDH1A1LMNASMN1; SMN2
SCHEMBL10277624 0.72 CA12 (0.50) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL9918686 0.71 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL13484125 0.71 CLEC4M (0.47) MEN1KMT2APOLBALDH1A1LMNA

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
WO-2010026075-A1 PYRIDINE DERIVATIVES AS INHIBITORS OF HIV-I REVERSE TRANSCRIPTASE F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
WO-2010026075-A1 PYRIDINE DERIVATIVES AS INHIBITORS OF HIV-I REVERSE TRANSCRIPTASE F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
US-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase ROCHE PALO ALTO LLC 2010-03-04 US disclosed
US-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase ROCHE PALO ALTO LLC 2010-03-04 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 (1 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-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase QTRT1, NQO2, QTRT2 MEN1 4471/4885KMT2A 600/4885POLB 49/4885

“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.