SCHEMBL1816404

SCHEMBL1816404

COC(=O)c1cc([N+](=O)[O-])cnc1SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
PKM P14618 1/20 0.61
MAPT P10636 5/20 0.51
ALDH1A1 P00352 9/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL1817217 0.87 ALDH1A1 (0.57) L3MBTL1PKMMAPTALDH1A1TDP1
SCHEMBL1815270 0.82 PKM (0.65) L3MBTL1PKMALDH1A1TDP1SMN1; SMN2
SCHEMBL20872831 0.82 L3MBTL1 (0.65) L3MBTL1PKMMAPTALDH1A1TDP1
SCHEMBL27002646 0.81 KMT2A (0.50) L3MBTL1PKMMAPTALDH1A1SMN1; SMN2
SCHEMBL18158947 0.81 MEN1 (0.54) L3MBTL1PKMMAPTALDH1A1TDP1
SCHEMBL9086771 0.79 ALDH1A1 (0.47) L3MBTL1PKMMAPTALDH1A1TDP1
SCHEMBL1819572 0.79 ALDH1A1 (0.54) L3MBTL1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1818273 0.78 MEN1 (0.52) L3MBTL1PKMMAPTALDH1A1SMN1; SMN2
SCHEMBL1816817 0.77 SLC29A1 (0.56) L3MBTL1PKMMAPTALDH1A1SMN1; SMN2
SCHEMBL1819203 0.76 MEN1 (0.57) L3MBTL1MAPTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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 (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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD L3MBTL1 270/4885PKM 4195/4885MAPT 3367/4885

“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.