SCHEMBL8512480

SCHEMBL8512480

Cc1ccccc1-n1ncnc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 3/20 0.56
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43
P2RX7 Q99572 2/20 0.40
MAPK14 Q16539 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM1 Q13255 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
SCHEMBL10069065 0.88 ALDH1A1 (0.44) ALDH1A1TSHRFLT3GSK3BP2RX7
SCHEMBL10038565 0.87 ALDH1A1 (0.43) ALDH1A1TSHRFLT3GSK3BP2RX7
SCHEMBL20732635 0.82 TSHR (0.47) ALDH1A1TSHRP2RX7MAPTKDM4E
SCHEMBL10038571 0.82 ALDH1A1 (0.39) ALDH1A1TSHRFLT3GSK3BP2RX7
SCHEMBL11115115 0.79 P2RX7 (0.47) ALDH1A1TSHRP2RX7
SCHEMBL28215247 0.78 NPC1 (0.42) ALDH1A1TSHRGSK3BP2RX7MAPT
SCHEMBL7045196 0.77 SMN1; SMN2 (0.43) ALDH1A1TSHRLMNAHTTKDM4E
SCHEMBL20732566 0.76 KDM4E (0.39) ALDH1A1TSHRMAPTLMNAKDM4E
SCHEMBL10594772 0.72 LMNA (0.53) LMNANPSR1
SCHEMBL9395008 0.71 ALDH1A1 (1.00) ALDH1A1TSHRMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 US disclosed
WO-2012070596-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-31 WO disclosed
WO-2012070596-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-31 WO disclosed
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 US disclosed
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 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-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device LAGE3, CRY1, CYBA ALDH1A1 379/4885TSHR 3302/4885FLT3 3034/4885

“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.