SCHEMBL822602

SCHEMBL822602

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 4/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AVPR1A P37288 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 4/20 0.37
MAPK10 P53779 2/20 0.36
GLA P06280 1/20 0.36
MAPK9 P45984 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
OXTR P30559 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL822877 0.92 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822814 0.90 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822813 0.89 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822774 0.86 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL12219217 0.85 KDM4E (0.50) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL822881 0.85 ESR2 (0.53) ALDH1A1HPGDLMNAMAPK1KDM4E
SCHEMBL822597 0.84 MAPK9 (0.47) KDM4EATML3MBTL1MAPK10MAPK9
SCHEMBL12219185 0.83 KDM4E (0.44) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL12219186 0.83 KDM4E (0.44) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL2744593 0.82 KDM4E (0.61) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1

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 2063/4885SMN1; SMN2 4245/4885

“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.