SCHEMBL22751701

SCHEMBL22751701

c1ccc2c(c1)Sc1ccccc1N2c1cc2c3ccccc3n3c4ccccc4c(c1)c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ BCHE P06276 7/20 0.36
▸ ACHE P22303 5/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 2/20 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
SCHEMBL22751699 0.85 — —
SCHEMBL22751633 0.84 DRD3 (0.35) BCHEACHENOX1ADRA2AADRA2B
SCHEMBL20710277 0.81 L3MBTL1 (0.45) HDAC6MAOABCHEACHEGRIN1
SCHEMBL22751700 0.78 P2RX4 (0.33) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL12190857 0.77 MAOA (0.54) HDAC6MAOABCHEACHENOX1
SCHEMBL17109676 0.76 GPR3 (0.47) HDAC6MAOABCHEACHENOX1
SCHEMBL22751631 0.76 CYP19A1 (0.34) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL22751645 0.76 KMT2A (0.33) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL16174618 0.76 KDM4E (0.52) HDAC6MAOABCHEACHENOX1
SCHEMBL18534074 0.75 L3MBTL1 (0.43) MAOABCHEACHENOX1ADRA2A

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-10862050-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-08 — — 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-10862050-B2 Heterocyclic compound and organic electroluminescence device including the same CCNT1, CCNL2, CCNA1 HDAC6 4124/4885MAOA 3032/4885BCHE 4177/4885

“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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