SCHEMBL21076138

SCHEMBL21076138

Clc1cccc(-n2c3ccccc3c3ccccc32)c1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 2/20 0.39
PDE7A Q13946 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 3/20 0.38
GPR3 P46089 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34
RORC P51449 1/20 0.34
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL31532948 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EATML3MBTL1CYP1A2
SCHEMBL22931541 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EATML3MBTL1CYP1A2
SCHEMBL22059347 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EATML3MBTL1CYP1A2
SCHEMBL22186103 0.81 KDM4E (0.48) ALDH1A1KDM4EATML3MBTL1MAPK14
SCHEMBL31365963 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EATML3MBTL1PDE7A
SCHEMBL24700513 0.78 KDM4E (0.54) ALDH1A1KDM4EATML3MBTL1MAPK14
SCHEMBL22771502 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EATML3MBTL1PDE7A
SCHEMBL28425845 0.78 ALKBH5 (0.46) ALDH1A1KDM4EATML3MBTL1PDE7A
SCHEMBL22599834 0.78 KDM4E (0.45) ALDH1A1KDM4EATML3MBTL1PDE7A
SCHEMBL19163226 0.76 TSPO (0.41) ALDH1A1KDM4EATML3MBTL1CYP1A2

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
US-20230225209-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS KUNSHAN GO-VISIONOX OPTO-ELECTRONICS CO., LTD (CN) 2023-07-13 US disclosed
US-20230225209-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS KUNSHAN GO-VISIONOX OPTO-ELECTRONICS CO., LTD (CN) 2023-07-13 US disclosed
US-20190173014-A1 BENZODIAZABOROLE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME YUAN ZE UNIVERSITY (TW) 2019-06-06 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-20190173014-A1 BENZODIAZABOROLE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME CBR3, GLB1, MRPL19 ALDH1A1 292/4885KDM4E 2670/4885ATM 3003/4885

“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.