SCHEMBL15436205

SCHEMBL15436205

COc1ccc(C2=NN(C(C)=O)C(c3ccc(OC)c(OC)c3)C2)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.81
MAOA P21397 1/20 0.73
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
TERT O14746 3/20 0.70
EGFR P00533 2/20 0.69
PTGS2 P35354 1/20 0.68
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67
PKM P14618 1/20 0.67
CA4 P22748 1/20 0.67
ATM Q13315 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66

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
SCHEMBL21440072 1.00 MAOB (0.81) MAOBMAOANPC1RAB9AMEN1
SCHEMBL3318038 0.93 EGFR (0.76) MAOBMAOANPC1RAB9AMEN1
SCHEMBL3308921 0.92 MAOB (0.83) MAOBMAOAKMT2APTGS2CA1
SCHEMBL23052167 0.89 NPC1 (0.71) MAOBMAOANPC1RAB9AMEN1
SCHEMBL23052465 0.89 NPC1 (0.71) MAOBMAOANPC1RAB9AMEN1
SCHEMBL16181219 0.87 MAOB (0.74) MAOBMAOAKMT2AEGFRPTGS2
SCHEMBL27790823 0.85 MAOA (1.00) MAOBMAOANPC1RAB9AMEN1
SCHEMBL14133888 0.84 MAOB (0.71) MAOBKMT2APTGS2CA1CA2
SCHEMBL23052467 0.84 MAOB (0.71) MAOBMAOAKMT2APTGS2CA1
SCHEMBL3314904 0.83 ACHE (0.71) MAOBMAOAKMT2AEGFRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307381-B1 NEW DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2021-01-13 EP disclosed
EP-2687513-B1 DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2020-12-02 EP disclosed
US-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
EP-2687513-A1 Drugs for inhibiting aggregation of proteins invoved in diseases linked to protein aggregation and/or neurodegenerative diseases Ludwig-Maximilians-Universität München (DE) 2014-01-22 EP disclosed
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. 2011-12-01 US 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-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, APP, HYPK MAOB 741/4885MAOA 744/4885NPC1 363/4885
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, HYPK, IK MAOB 696/4885MAOA 987/4885NPC1 339/4885

“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.