SCHEMBL1040588

SCHEMBL1040588

CC(=O)[N]Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
KEAP1 Q14145 1/20 0.41
GRIN2B Q13224 2/20 0.41
CTBP2 P56545 1/20 0.41
GRIN1 Q05586 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL2500288 0.81 CES2 (0.48) NOS2ALDH1A1CES2CES1AKR1B1
SCHEMBL3686805 0.80 NOS2 (0.44) NOS2ALDH1A1LMNACES2CES1
SCHEMBL6246264 0.78 MEN1 (0.44) ALDH1A1LMNACTBP2KDM4ESMN1; SMN2
SCHEMBL818281 0.78 L3MBTL1 (0.42) NOS2ALDH1A1LMNACES2CES1
SCHEMBL8393618 0.78 ALDH1A1 (0.61) ALDH1A1LMNAKEAP1GRIN2BGRIN1
SCHEMBL816881 0.78 NOS2 (0.42) NOS2ALDH1A1LMNACES2CES1
SCHEMBL817534 0.78 NOS2 (0.42) NOS2ALDH1A1LMNACES2CES1
SCHEMBL817467 0.78 NOS2 (0.42) NOS2ALDH1A1LMNACES2CES1
SCHEMBL4150306 0.78 NOS2 (0.39) NOS2ALDH1A1LMNACES2CES1
SCHEMBL689470 0.77 GRIN2B (0.50) NOS2CES2CES1AKR1B1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP claimed
US-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2010-07-01 US claimed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO claimed
EP-2198710-A1 Use of 5-pyridin-4yl-(1,3) thiazoles for combating phytopathogenic fungi Bayer CropScience AG (DE) 2010-06-23 EP claimed
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 US claimed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
US-6143932-A FOR EFFECTING ANALGESIA, A DECREASE IN THE POSTPRANDIAL RISE IN THE BLOOD GLUCOSE LEVELS OF A MAMMAL AFTER INGESTION OF A CARBOHYDRATE LOAD BY SAID MAMMAL, AND TREATING MICROBIAL INFECTIONS TREGA BIOSCIENCES, INC. (US) 2000-11-07 US claimed
US-6121489-A Selectively N-alkylated peptidomimetic combinatorial libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 2000-09-19 US claimed
EP-0890101-A4 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INST (US) 1999-12-08 EP claimed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP claimed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO claimed
WO-2024107323-A1 HETEROGENEOUS CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-05-23 WO disclosed
EP-3538263-B1 METHODS TO REJUVENATE A DEACTIVATED HYDROFORMYLATION CATALYST SOLUTION DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-03-20 EP disclosed
EP-3538264-B1 METHODS TO REJUVENATE A DEACTIVATED HYDROFORMYLATION CATALYST SOLUTION DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-03-20 EP disclosed
EP-3538265-B1 METHODS OF TREATING A HYDROFORMYLATION CATALYST SOLUTION DOW TECHNOLOGY INVESTMENTS LLC (US) 2023-09-27 EP disclosed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed
EP-0081119-A1 Room temperature vulcanizable polyorganosiloxane compositions containing alcoholic and carboxylic organofunctionality Toray Silicone Company Limited (JP) 1983-06-15 EP disclosed
EP-0002836-B1 ACYLHYDROCARBYLAMINOALCANECARBOXYLIC ACIDS, THEIR PREPARATION AND THEIR USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-10-27 EP disclosed
US-4268688-A OF OLEFINS MONSANTO COMPANY (US) 1981-05-19 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-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi PIR, PNPO, PDXK NOS2 2704/4885ALDH1A1 2137/4885LMNA 1421/4885
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds VCAM1, ICAM1, EPCAM NOS2 2096/4885ALDH1A1 164/4885LMNA 3616/4885

“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.