SCHEMBL21894768

SCHEMBL21894768

Cc1cc(N2c3ccccc3Sc3ccccc32)cc(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ BCHE P06276 8/20 0.34
▸ NOX1 Q9Y5S8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LPL P06858 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21894757 0.82 NPSR1 (0.35) KMT2ALPLLIPGCYP1A2JAK2
SCHEMBL29662259 0.79 LPL (0.49) MAOAHDAC6NOX1LPLLIPG
SCHEMBL18267536 0.79 LPL (0.49) MAOAHDAC6NOX1LPLLIPG
SCHEMBL29445686 0.78 LPL (0.40) MAOAHDAC6BCHENOX1MEN1
SCHEMBL28726381 0.78 LPL (0.40) MAOAHDAC6BCHENOX1MEN1
SCHEMBL19038798 0.77 HDAC6 (0.37) MAOAHDAC6BCHENOX1MEN1
SCHEMBL21894695 0.77 MAOA (0.41) MAOAHDAC6BCHENOX1MEN1
SCHEMBL13832944 0.76 LPL (0.43) MAOAHDAC6NOX1MEN1ADRA2A
SCHEMBL18267538 0.76 MAOA (0.42) MAOAHDAC6BCHENOX1MEN1
SCHEMBL21894759 0.74 HDAC6 (0.42) MAOAHDAC6BCHENOX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200106023-A1 Thermally Activated Delayed Material and Organic Photoelectric Device Comprising the Same Shanghai Tianma AM-OLED Co., Ltd. (CN) 2020-04-02 — — 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-20200106023-A1 Thermally Activated Delayed Material and Organic Photoelectric Device Comprising the Same MAPK9, CDK9, CDK19 MAOA 628/4885HDAC6 4796/4885BCHE 1936/4885

“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.

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