SCHEMBL17554366

SCHEMBL17554366

O=[N+]([O-])c1cccc(COc2ccc(O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.73
MAOA P21397 1/20 0.73
FFAR1 O14842 1/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
RAB9A P51151 1/20 0.55
AR P10275 1/20 0.54

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
SCHEMBL17560021 0.88 MAOB (0.70) MAOBMAOAFFAR1MAPTALDH1A1
SCHEMBL6599866 0.88 MAOB (0.68) MAOBMAOAFFAR1MAPTALDH1A1
SCHEMBL28299036 0.87 MAOB (0.67) MAOBMAOAFFAR1MAPTALDH1A1
SCHEMBL12010999 0.87 MAOB (0.67) MAOBMAOAFFAR1MAPTALDH1A1
SCHEMBL27863133 0.87 MAOB (0.67) MAOBMAOAFFAR1MAPTALDH1A1
SCHEMBL13192710 0.87 MAOB (0.70) MAOBMAOAFFAR1ALDH1A1
SCHEMBL8991408 0.86 MAOB (0.79) MAOBMAOAFFAR1MAPTALDH1A1
SCHEMBL12533265 0.85 MAOB (0.66) MAOBMAOAFFAR1MAPTALDH1A1
Hydroquinone SCHEMBL29014236 0.85 MAOB (0.61) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL3499926 0.85 MAOB (0.69) MAOBMAOAFFAR1MAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-01-22 US disclosed
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-09-14 US disclosed
EP-3189059-A2 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2017-07-12 EP disclosed
WO-2016034946-A2 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2016-03-10 WO disclosed
EP-2993175-A1 Thienopyrroles as histone demethylase inhibitors IEO - Istituto Europeo di Oncologia Srl (IT) 2016-03-09 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 (2 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-10183952-B2 Thienopyrroles as histone demethylase inhibitors KDM1A, KDM1B, KDM3A MAOB 1546/4885MAOA 2008/4885FFAR1 2035/4885
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS KDM1A, KDM1B, KDM3A MAOB 1546/4885MAOA 2008/4885FFAR1 2035/4885

“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.