SCHEMBL881864

SCHEMBL881864

CSc1nc(/C=C/c2ccc(N(C)C)cc2)cc(/C=C/c2ccc(N(C)C)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.63
MAPT P10636 7/20 0.61
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 2/20 0.50
CASP1 P29466 2/20 0.50
HBB P68871 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RELA Q04206 1/20 0.49
PTGS1 P23219 1/20 0.47
EGFR P00533 2/20 0.45
INSR P06213 1/20 0.44
NQO2 P16083 1/20 0.44
ALDH1A1 P00352 2/20 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
SCHEMBL3395591 0.80 APP (0.62) APPMAPTMEN1KMT2ARAB9A
SCHEMBL3392098 0.78 APP (0.80) APPMAPT
SCHEMBL3398251 0.78 APP (1.00) APPMAPT
SCHEMBL15347686 0.76 MAPT (1.00) APPMAPTMEN1KMT2ARAB9A
SCHEMBL881782 0.76 MAPT (1.00) APPMAPTMEN1KMT2ARAB9A
SCHEMBL900093 0.76 MAPT (1.00) APPMAPTMEN1KMT2ARAB9A
SCHEMBL13467434 0.74 RELA (0.81) APPMAPTMEN1KMT2ARAB9A
SCHEMBL1714446 0.74 RELA (0.81) APPMAPTMEN1KMT2ARAB9A
SCHEMBL3025040 0.74 RELA (0.81) APPMAPTMEN1KMT2ARAB9A
SCHEMBL7915381 0.74 RELA (0.81) APPMAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130287700-A1 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2013-10-31 US disclosed
US-20130287700-A1 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2013-10-31 US disclosed
WO-2012041292-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA KLINIKUM DARMSTADT GMBH (DE) 2012-04-05 WO disclosed
WO-2012037928-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2012-03-29 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-20130287700-A1 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM SNCA, MAPT, TARDBP APP 4/4885MAPT 2/4885MEN1 2209/4885

“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.