Sugi Predict

Sugi Predict / Compounds / SCHEMBL22787883

SCHEMBL22787883

SCHEMBL22787883

c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ PPARG P37231 5/20 0.31
▸ PPARA Q07869 5/20 0.31
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CHRNA4 P43681 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
SCHEMBL22787960 0.98 MCL1 (0.33) MCL1ACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL25452284 0.98 MCL1 (0.33) MCL1ACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL22787919 0.97 CA12 (0.35) MCL1ACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL22779998 0.97 CA12 (0.35) MCL1ACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL22780132 0.95 MCL1 (0.34) MCL1ACMSDCHRNB4CHRNA3CA12
SCHEMBL25452296 0.95 MCL1 (0.31) MCL1ACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL22787874 0.95 CHRNA1 (0.34) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL25451229 0.94 MCL1 (0.31) MCL1ACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL22780006 0.94 CHRNB4 (0.32) MCL1ACMSDCHRNB4CHRNA3CHRNA7
SCHEMBL23621569 0.94 MCL1 (0.34) MCL1ACMSDCHRNB4CHRNA3CHRNA7

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-10985324-B2 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2021-04-20 — — US disclosed
US-20200395544-A1 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2020-12-17 — — US disclosed
WO-2020248755-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND PHOTOELECTRIC CONVERSION DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 — — WO 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 (2 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-20200395544-A1 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device NOS1, NOM1, NUDC MCL1 4137/4885ACMSD 990/4885CHRNB4 2344/4885
US-10985324-B2 Nitrogen-containing compound, organic electroluminescent device and photoelectric conversion device NOS1, NOM1, NUDC MCL1 4137/4885ACMSD 990/4885CHRNB4 2344/4885

“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.