SCHEMBL1013698

SCHEMBL1013698

O=[N+]([O-])c1cccc(OCc2ccco2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.56
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MAPT P10636 4/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MAOB P27338 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 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
SCHEMBL8808547 0.84 GAA (0.59) MAPTMAOBGAAALDH1A1HPGD
SCHEMBL536135 0.77 CHRNB2 (0.60) F2CHRNB2CHRNA4MAOBALDH1A1
SCHEMBL16178929 0.76 CHRNB2 (0.64) CHRNB2CHRNA4MAPTMAOBALDH1A1
SCHEMBL15498199 0.76 CHRNB2 (0.73) CHRNB2CHRNA4MAPTMAOBALDH1A1
SCHEMBL2965418 0.76 MAOB (0.63) CHRNB2CHRNA4MAPTMAOBALDH1A1
SCHEMBL30443578 0.76 MAOB (0.63) CHRNB2CHRNA4MAPTMAOBALDH1A1
SCHEMBL11851749 0.75 MAOB (0.54) CHRNB2CHRNA4MAPTMAOBALDH1A1
Hydrochloric Acid SCHEMBL10551173 0.75 CHRNB2 (0.62) CHRNB2CHRNA4MAPTMAOBALDH1A1
Hydrochloric Acid SCHEMBL10551171 0.75 CHRNB2 (0.62) CHRNB2CHRNA4MAPTMAOBALDH1A1
Hydrochloric Acid SCHEMBL10551164 0.75 CHRNB2 (0.62) CHRNB2CHRNA4MAPTMAOBALDH1A1

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-8415479-B2 Inhibitor of plasminogen activator inhibitor-1 RENASCIENCE CO., LTD. (JP) 2013-04-09 US disclosed
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 RENASCIENCE CO., LTD. (JP) 2011-05-12 US disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP 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-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 SERPINE1, SERPINB1, SERPINC1 F2 23/4885CHRNB2 4861/4885CHRNA4 4872/4885

“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.