SCHEMBL715964

SCHEMBL715964

[c]1ccccc1-c1nsnc1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
TTK P33981 1/20 0.32
MAPK10 P53779 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7213630 0.79 ALOX15 (0.48) ALOX15ALDH1A1KDM4EALPLGAA
SCHEMBL712288 0.79 L3MBTL1 (0.41) ALOX15ALDH1A1KDM4EGAAHPGD
SCHEMBL715965 0.76 ALOX15 (0.38) ALOX15ALDH1A1KDM4EALPLGAA
SCHEMBL713929 0.76 SLC22A12 (0.35) ALOX15ALDH1A1KDM4EMAPTNPSR1
SCHEMBL711812 0.74 MEN1 (0.46) ALOX15ALDH1A1KDM4E
SCHEMBL714996 0.74 KDM4E (0.52) ALDH1A1KDM4EGAAHPGDMAPK10
SCHEMBL38202 0.73 ALDH1A1 (0.42) ALDH1A1CYP1A2MAPT
SCHEMBL41140 0.73 ALDH1A1 (0.42) ALDH1A1CYP1A2MAPT
SCHEMBL28544762 0.71 ALDH1A1 (0.40) ALDH1A1CYP1A2MAPT
SCHEMBL2449602 0.70 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2NPSR1

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-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 ALOX15 1980/4885ALDH1A1 1391/4885KDM4E 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.