SCHEMBL5535916

SCHEMBL5535916

Nc1ccc2nc(-c3cccc(-c4nc5ccc(N)cc5s4)c3)sc2c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.90
KDM4E B2RXH2 7/20 0.90
GAA P10253 6/20 0.90
NPC1 O15118 6/20 0.90
RAB9A P51151 6/20 0.90
ALDH1A1 P00352 5/20 0.90
GLA P06280 4/20 0.90
SMN1; SMN2 Q16637 4/20 0.90
HPGD P15428 3/20 0.90
POLB P06746 3/20 0.90
PKM P14618 2/20 0.90
TP53 P04637 2/20 0.90
PTBP1 P26599 1/20 0.90
CASP1 P29466 1/20 0.90
CASP7 P55210 1/20 0.90
HSD17B10 Q99714 1/20 0.90
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
NFKB1 P19838 3/20 0.69
NFKB2 Q00653 3/20 0.69

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
SCHEMBL11749206 0.95 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL3194266 0.90 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL6854930 0.87 MAPT (0.96) MAPTKDM4EGAANPC1RAB9A
SCHEMBL1995933 0.86 MAPT (1.00) MAPTKDM4EGAANPC1RAB9A
SCHEMBL5595585 0.84 KDM4E (0.65) MAPTKDM4EGAANPC1RAB9A
SCHEMBL14111249 0.83 MAPT (0.78) MAPTKDM4EGAANPC1RAB9A
SCHEMBL11778594 0.83 MAPT (0.70) MAPTKDM4EGAANPC1RAB9A
Hydrochloric Acid SCHEMBL22130206 0.82 MAPT (0.68) MAPTKDM4EGAANPC1RAB9A
Hydrochloric Acid SCHEMBL31219259 0.82 MAPT (0.68) MAPTKDM4EGAANPC1RAB9A
SCHEMBL6401979 0.81 MAPT (0.77) MAPTKDM4EGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US claimed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP claimed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US claimed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP claimed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 WO claimed
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US disclosed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP disclosed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US disclosed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP disclosed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 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 (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-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION HTT, ATXN2, ATXN2L MAPT 26/4885KDM4E 2734/4885GAA 243/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L MAPT 26/4885KDM4E 2734/4885GAA 243/4885

“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.