SCHEMBL822774

SCHEMBL822774

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)-c2ccccc2C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
AVPR1A P37288 1/20 0.41
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL822814 0.95 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822877 0.87 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822602 0.86 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822813 0.83 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL12804603 0.83 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822753 0.76 NPC1 (0.41) SMN1; SMN2LMNAMAPTPOLBNPC1
SCHEMBL822796 0.76 MYC (0.39) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL822873 0.75 ESR2 (0.59) ALDH1A1HPGDSMN1; SMN2MAPK1KMT2A
SCHEMBL13589291 0.73 AVPR1A (0.59) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL12219055 0.73 KDM4E (0.46) 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.