SCHEMBL822694

SCHEMBL822694

Cn1cc2ccc3ncccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP3A4 P08684 1/20 0.56
LMNA P02545 2/20 0.50
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
MEN1 O00255 2/20 0.42
HSP90AA1 P07900 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
NCOA1 Q15788 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL822669 0.78 GPR3 (0.59) KDM4EHTR2AMAOA
SCHEMBL217044 0.76 MAPT (1.00) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL11091904 0.75 CYP3A4 (0.43) MAPTKDM4ECYP3A4LMNAHTR2A
SCHEMBL256325 0.75 ALDH1A1 (0.48) MAPTKDM4ECYP3A4LMNAMEN1
Hydrochloric Acid SCHEMBL28420480 0.73 MAPT (0.94) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL22946758 0.73 MAPT (0.59) MAPTKDM4ECYP3A4LMNAHTR2A
SCHEMBL50649 0.72 CYP3A4 (1.00) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL29350243 0.72 CYP3A4 (1.00) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL822770 0.72 ALDH1A1 (0.55) MAPTCYP3A4HIF1AALDH1A1MAOA
SCHEMBL28276358 0.72 CYP3A4 (1.00) MAPTKDM4ECYP3A4LMNAMEN1

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-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 MAPT 2127/4885KDM4E 1835/4885CYP3A4 297/4885

“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.