SCHEMBL1819620

SCHEMBL1819620

N#Cc1cc([N+](=O)[O-])cnc1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 9/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 4/20 0.47
PPARG P37231 2/20 0.47
NCOA2 Q15596 2/20 0.47
TP53 P04637 1/20 0.47
NCOA1 Q15788 1/20 0.47
ESR2 Q92731 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46

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 0.80 MEN1 (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1817759 0.80 KMT2A (0.53) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1819572 0.80 ALDH1A1 (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1818633 0.79 ALDH1A1 (0.60) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1818273 0.79 MEN1 (0.52) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1819828 0.79 ALDH1A1 (0.51) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1817217 0.78 ALDH1A1 (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1818074 0.77 MEN1 (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1816569 0.77 MEN1 (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27002646 0.77 KMT2A (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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 MAPT 3367/4885KMT2A 1841/4885MEN1 818/4885

“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.