SCHEMBL6540847

SCHEMBL6540847

COc1ccccc1Sc1ccc(C=C[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.54
VCP P55072 5/20 0.54
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
SYK P43405 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.50
GALR2 O43603 1/20 0.50
EGFR P00533 1/20 0.50
HTT P42858 1/20 0.50
PRMT1 Q99873 1/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
S1PR4 O95977 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 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
SCHEMBL6540844 1.00 FBP1 (0.54) FBP1VCPALDH1A1LMNASMN1; SMN2
SCHEMBL6540784 0.80 VCP (0.71) FBP1VCPALDH1A1LMNASMN1; SMN2
SCHEMBL6540777 0.80 VCP (0.71) FBP1VCPALDH1A1LMNASMN1; SMN2
SCHEMBL31683914 0.79 MAPT (0.49) ALDH1A1LMNASMN1; SMN2NPSR1MAPT
SCHEMBL6539480 0.79 FBP1 (0.81) FBP1VCPALDH1A1LMNASMN1; SMN2
SCHEMBL8865855 0.79 MAPT (0.49) ALDH1A1LMNASMN1; SMN2NPSR1MAPT
SCHEMBL6539482 0.79 FBP1 (0.81) FBP1VCPALDH1A1LMNASMN1; SMN2
SCHEMBL6540562 0.78 AR (0.50) ALDH1A1HTTKMT2AHPGDAR
SCHEMBL6540241 0.75 FBP1 (0.66) FBP1VCPALDH1A1LMNASMN1; SMN2
SCHEMBL6540237 0.75 FBP1 (0.66) FBP1VCPALDH1A1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 FBP1 1286/4885VCP 4063/4885ALDH1A1 188/4885

“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.