SCHEMBL712286

SCHEMBL712286

[c]1ccccc1-c1nc2ccccc2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.42
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
MAOA P21397 2/20 0.36
GLA P06280 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
NQO2 P16083 1/20 0.36
DRD1 P21728 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 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
SCHEMBL714996 0.78 KDM4E (0.52) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28586612 0.77 ALDH1A1 (0.43) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL715300 0.74 ALDH1A1 (0.40) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL715670 0.73 ADORA2A (0.55) KMT2AALDH1A1SMN1; SMN2TDP1RAB9A
SCHEMBL712287 0.72 NUDT1 (0.47) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL729919 0.71 NUDT1 (0.61) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL30537037 0.71 NUDT1 (0.61) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL712288 0.71 L3MBTL1 (0.41) KMT2AKDM4EALDH1A1HPGDGLA
SCHEMBL5322062 0.70 PDE10A (0.57) KMT2AKDM4EALDH1A1HPGDGLA
SCHEMBL10379738 0.70 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 GPR3 1711/4885KMT2A 2499/4885KDM4E 2863/4885

“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.