SCHEMBL2026627

SCHEMBL2026627

CN(C)c1ccc2ccc3c(c2c1)C(=O)c1ccccc1C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.48
▸ MAOB P27338 3/20 0.48
▸ PTGS2 P35354 2/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTK2B Q14289 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C19 P33261 3/20 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
SCHEMBL4887140 0.91 MAOA (0.47) MAOAMAOBPTGS2MEN1KMT2A
SCHEMBL23839 0.79 MAOA (0.57) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL5680075 0.79 MAOA (0.49) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL11043218 0.78 KDM4E (0.48) MAOAMAOBKDM4EALDH1A1L3MBTL1
SCHEMBL11037499 0.75 MAOA (0.47) MAOAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5532334 0.74 CYP1A2 (0.50) MAOAMAOBPTGS2MEN1KMT2A
SCHEMBL1639476 0.74 CYP1A2 (0.58) MAOAMAOBPTGS2KDM4EALDH1A1
Ethylene Glycol SCHEMBL18525381 0.73 MAOA (0.49) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL11745530 0.73 MEN1 (0.43) MAOAMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2864685 0.73 CYP1A2 (0.49) MAOAMAOBPTGS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150268246-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2015-09-24 — — US disclosed
US-9034655-B2 Highly water-soluble, cationic luminescent labels SETA BIOMEDICALS, LLC (US) 2015-05-19 — — US disclosed
US-20110143387-A1 HIGHLY WATER-SOLUBLE, CATIONIC LUMINESCENT LABELS SETA BIOMEDICALS, LLC 2011-06-16 — — US disclosed
US-20080076188-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2008-03-27 — — 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 (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-20080076188-A1 Luminescent compounds REL, QRFPR, RCOR3 MAOA 1902/4885MAOB 1728/4885PTGS2 2704/4885
US-20110143387-A1 HIGHLY WATER-SOLUBLE, CATIONIC LUMINESCENT LABELS SLC7A5, ABCG2, SLC43A1 MAOA 4249/4885MAOB 4118/4885PTGS2 3787/4885

“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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