SCHEMBL4571016

SCHEMBL4571016

c1ccc2c(c1)Cc1ccccc1Nc1ccccc1C2

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
NPC1 O15118 2/20 0.62
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
AHR P35869 1/20 0.62
PDK2 Q15119 1/20 0.62
HSP90AA1 P07900 1/20 0.62
THRB P10828 1/20 0.62
HK1 P19367 1/20 0.62
MAPK1 P28482 1/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 1/20 0.62
GALK1 P51570 1/20 0.62
BLM P54132 1/20 0.62
HKDC1 Q2TB90 1/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
BRD4 O60885 2/20 0.48
CREBBP Q92793 2/20 0.48

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
Acridan SCHEMBL29405807 0.97 MAPT (0.65) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL183367 0.97 MAPT (0.65) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL29446489 0.97 MAPT (0.65) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL20594012 0.97 MAPT (0.65) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL28832553 0.94 MAPT (0.62) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL29020974 0.94 MAPT (0.62) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL29006126 0.94 MAPT (0.62) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL15412652 0.94 MAPT (0.62) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL10813635 0.94 MAPT (0.62) MAPTNPC1KDM4EMEN1KMT2A
Acridan SCHEMBL4012624 0.92 MAPT (0.60) MAPTNPC1KDM4EMEN1KMT2A

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-8173803-B2 Supramolecular scaffolds and methods of making the same LOYOLA UNIVERSITY OF CHICAGO (US) 2012-05-08 US disclosed
US-8173803-B2 Supramolecular scaffolds and methods of making the same LOYOLA UNIVERSITY OF CHICAGO (US) 2012-05-08 US disclosed
US-20100041880-A1 Supramolecular Scaffolds and Methods of Making the Same LOYOLA UNIVERSITY OF CHICAGO (US) 2010-02-18 US disclosed
US-20100041880-A1 Supramolecular Scaffolds and Methods of Making the Same LOYOLA UNIVERSITY OF CHICAGO (US) 2010-02-18 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 (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-20100041880-A1 Supramolecular Scaffolds and Methods of Making the Same BLM, TBXAS1, TOP2B MAPT 2040/4885NPC1 1475/4885KDM4E 4711/4885

“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.