SCHEMBL1817759

SCHEMBL1817759

O=[N+]([O-])c1cnc(SCc2ccccc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
SLC29A1 Q99808 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTSB P07858 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1819203 0.83 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1819572 0.83 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1818273 0.82 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1817217 0.81 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1818074 0.80 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL27002646 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1816569 0.80 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1819620 0.80 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL15227162 0.80 MEN1 (0.63) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL24767955 0.77 POLB (0.46) KMT2AMEN1ALDH1A1MAPTLMNA

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 KMT2A 1841/4885MEN1 818/4885ALDH1A1 4190/4885

“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.