SCHEMBL1817217

SCHEMBL1817217

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
CYP2C9 P11712 3/20 0.57
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 7/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
TRPA1 O75762 1/20 0.47
TSHR P16473 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL1816404 0.87 L3MBTL1 (0.61) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1819203 0.81 MEN1 (0.57) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1819572 0.81 ALDH1A1 (0.54) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1817759 0.81 KMT2A (0.53) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1818273 0.80 MEN1 (0.52) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1818910 0.78 MEN1 (0.68) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1819620 0.78 MAPT (0.51) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL18158937 0.78 MEN1 (0.60) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1818074 0.78 MEN1 (0.50) ALDH1A1CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL1816569 0.78 MEN1 (0.50) ALDH1A1CYP2C9MEN1KMT2ASMN1; 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 ALDH1A1 4190/4885CYP2C9 3001/4885MEN1 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.