SCHEMBL822877

SCHEMBL822877

c1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2-c2ccc3c(c2)-c2ccccc2C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL822813 0.98 KDM4E (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL822602 0.92 ALDH1A1 (0.45) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL822774 0.87 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL17467396 0.86 KDM4E (0.38) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL17637000 0.84 KDM4E (0.40) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL822749 0.84 MAPK9 (0.40) KDM4EATML3MBTL1KMT2APOLB
SCHEMBL17467393 0.83 KDM4E (0.38) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL822589 0.83 KDM4A (0.33) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL10111066 0.83 KDM4E (0.56) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL822814 0.83 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA

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 ALDH1A1 1002/4885HPGD 2063/4885MAPK1 2976/4885

“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.