SCHEMBL4155258

SCHEMBL4155258

S=C1Cc2cccc3cccc(c23)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
KDM4E B2RXH2 6/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
NPC1 O15118 3/20 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
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.48
GAA P10253 5/20 0.41
ALDH1A1 P00352 4/20 0.41
APAF1 O14727 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL30736009 0.78 AHR (0.64) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL4199395 0.78 AHR (0.64) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL88685 0.77 KMT2A (1.00) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL29453856 0.77 KMT2A (1.00) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL28826361 0.70 TSHR (0.61) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL4155254 0.70 RAD52 (0.52) MAPTKDM4EKMT2AMEN1NPC1
Fluorene SCHEMBL28370298 0.69 NPC1 (0.81) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL9956579 0.69 TSHR (0.83) MAPTKDM4EKMT2AMEN1THRB
SCHEMBL3171835 0.68 RAD52 (0.55) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL7604368 0.67 PARP1 (0.55) MAPTKDM4EKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 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-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 MAPT 10/4885KDM4E 4827/4885KMT2A 4715/4885

“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.