SCHEMBL414454

SCHEMBL414454

O=C(CO)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
KMT2A Q03164 4/20 0.66
MEN1 O00255 2/20 0.66
MCL1 Q07820 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HTT P42858 1/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
RAB9A P51151 1/20 0.58
HSP90AA1 P07900 1/20 0.58
MAPT P10636 1/20 0.58
EPHX2 P34913 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL3087061 0.86 GAA (0.73) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL14359694 0.86 GAA (0.61) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL7162443 0.85 PKM (0.56) GAAKMT2AMEN1ALDH1A1HTT
SCHEMBL146436 0.83 GAA (0.75) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL622501 0.83 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL1186049 0.83 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL392625 0.83 ALDH1A1 (0.82) GAAKMT2AMEN1ALDH1A1HPGD
Ethylene SCHEMBL27871427 0.81 TP53 (0.60) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL1185097 0.81 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL2636120 0.81 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898816-B Photosensitive leveling wetting dispersant for optical fiber coloring ink and preparation method and application thereof 武汉长盈鑫科技有限公司 2021-11-16 CN claimed
CN-112898816-A Photosensitive leveling wetting dispersant for optical fiber coloring ink and preparation method and application thereof 武汉长盈鑫科技有限公司 2021-06-04 CN claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-4626495-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. (US) 2025-10-08 EP disclosed
US-20250304585-A1 SULFAMATE BASED COVALENT LIGAND-DIRECTED RELEASE (COLDR) COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-10-02 US disclosed
EP-4540249-A1 SULFAMATE BASED COVALENT LIGAND-DIRECTED RELEASE (COLDR) COMPOUNDS Yeda Research and Development Co. Ltd (IL) 2025-04-23 EP disclosed
US-20240209129-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. 2024-06-27 US disclosed
WO-2024116106-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. (US) 2024-06-06 WO disclosed
WO-2023242845-A1 SULFAMATE BASED COVALENT LIGAND-DIRECTED RELEASE (CoLDR) COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-12-21 WO disclosed
US-20230406837-A1 SULFAMATE MODULATORS OF PIN1 ACTIVITY AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2023-12-21 US disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
WO-2000031096-A1 ACETAL BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-02 WO disclosed
WO-2000031094-A2 BENZYLGLYCOSYLAMIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-02 WO disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO disclosed
EP-0506478-B1 Piperidine derivatives LILLY CO ELI (US) 1997-09-03 EP disclosed
US-5250542-A Prevention of side effects induced by narcotics used as analgesics such as constipation, nausea and vomiting; 1-carboxyalkyl-4-methyl-4-(3-oxyphenyl)piperidines such as alvimopan ELI LILLY AND COMPANY (US) 1993-10-05 US disclosed
EP-0506478-A1 Piperidine derivatives ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
US-4052212-A ETHER-ESTER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-10-04 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 (3 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 GAA 2600/4885KMT2A 3927/4885MEN1 2816/4885
US-20250304585-A1 SULFAMATE BASED COVALENT LIGAND-DIRECTED RELEASE (COLDR) COMPOUNDS CASR, NPSR1, GSR GAA 1409/4885KMT2A 2856/4885MEN1 3473/4885
US-20230406837-A1 SULFAMATE MODULATORS OF PIN1 ACTIVITY AND USES THEREOF PIN1, PSTPIP2, PIN4 GAA 3246/4885KMT2A 2843/4885MEN1 4374/4885

“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.