SCHEMBL6629576

SCHEMBL6629576

CC(=O)N(CCO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
GLA P06280 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 2/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL10099720 0.90 MEN1 (0.62) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL2069635 0.84 TP53 (0.59) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7505138 0.83 ALDH1A1 (0.55) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7791465 0.83 HDAC3 (0.51) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL8041935 0.82 ALDH1A1 (0.50) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL10460057 0.82 ADRA2C (0.53) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL18457436 0.82 MEN1 (0.55) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL29588899 0.82 ESR1 (0.42) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL8329334 0.82 ALDH1A1 (0.50) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL27526983 0.82 TP53 (0.53) ALDH1A1TSHRGLAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431389-B1 Azo dyes and process for the manufacture of [5-amino-2-(2-hydroxyethylamino)phenyl](2-hydroxyethyl)sulfone BAYER AG (DE) 1993-12-29 EP claimed
US-5107025-A For monoazo dye synthesis BAYER AKTIENGESELLSCHAFT (DE) 1992-04-21 US claimed
JP-3181454-A None JP disclosed
JP-11349834-A None JP disclosed
CN-109689621-B Compound, core-shell dye, photosensitive resin composition containing the compound and color filter 三星SDI株式会社 2022-04-05 CN disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO disclosed
JP-H11349834-A AZO DYE BAYER AG 1999-12-21 JP disclosed
US-5278291-A Color materials BAYER AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5107025-A For monoazo dye synthesis BAYER AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
JP-H03181454-A AZO DYE AND PROCESS FOR THE PREPARATION OF (5-AMINO-2-(2-HYDROXYETHYLAMINO)PHENYL)(2-HYDROXYETHYL) SULFONE BAYER AG 1991-08-07 JP disclosed
EP-0299328-B1 REACTIVE DYES BAYER AG (DE) 1991-07-10 EP disclosed
EP-0271656-B1 REACTIVE AMINO ALKOXY-TRIPHENE DIOXAZINE DYES BAYER AG (DE) 1990-08-01 EP disclosed
US-4874857-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
EP-0271656-A1 Reactive amino alkoxy-triphene dioxazine dyes BAYER AG (DE) 1988-06-22 EP disclosed
EP-0177414-A1 Jodized triaminobenzene compounds, process for their preparation and their use in contrast products GUERBET S.A. (FR) 1986-04-09 EP disclosed
US-4014892-A ANTHELMINTICS AMERICAN CYANAMID COMPANY (US) 1977-03-29 US disclosed
US-3989835-A Method of using 6-substituted amino phenyl-2,3,5,6-tetra-hydro[2,1-b]thiazoles for controlling gastrointestinal nematodes AMERICAN CYANAMID COMPANY (US) 1976-11-02 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL ALDH1A1 3884/4885TSHR 1190/4885GLA 33/4885

“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.