SCHEMBL436079

SCHEMBL436079

O=C(CCc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
KEAP1 Q14145 1/20 0.47
NPC1 O15118 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB5 P28074 1/20 0.45
ALDH1A1 P00352 3/20 0.44
FFAR1 O14842 1/20 0.44
FAAH O00519 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL19658184 0.92 TDP1 (0.42) TDP1PSMB8PSMB5FFAR1FAAH
SCHEMBL1231930 0.91 HDAC1 (0.50) TDP1NPC1FAAHKMT2AMAPK1
SCHEMBL18943888 0.89 NAAA (0.50) FAAHMAPK1HPGDMAPTHDAC2
SCHEMBL17767816 0.89 PSMB8 (0.42) TDP1PSMB8PSMB5ALDH1A1FAAH
SCHEMBL13163608 0.89 SRD5A2 (0.48) TDP1PSMB8PSMB5ALDH1A1FFAR1
SCHEMBL27891869 0.87 PSMB8 (0.47) TDP1PSMB8PSMB5ALDH1A1FFAR1
SCHEMBL19644254 0.87 KEAP1 (0.45) TDP1KEAP1PSMB8PSMB5ALDH1A1
SCHEMBL30363197 0.87 KEAP1 (0.45) TDP1KEAP1PSMB8PSMB5ALDH1A1
SCHEMBL300883 0.86 CA12 (0.45) TDP1PSMB8PSMB5ALDH1A1KMT2A
SCHEMBL112099 0.86 FAAH (0.41) TDP1PSMB8PSMB5ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103755953-B A kind of intelligent polycation nano-carrier, its preparation method and application thereof SHENZHEN ADVANCED TECHNOLOGY RESEARCH INST. (CN) 2015-11-18 CN claimed
CN-103690961-B A kind of intelligent amphipathic nature polyalcohol nano-micelle and its preparation method and application SHENZHEN ADVANCED TECHNOLOGY RESEARCH INST. (CN) 2015-09-09 CN claimed
CN-103690961-A Intelligent amphiphilic polymer nano micelle and preparation method and application thereof SHENZHEN INST OF ADV TECH CAS 2014-04-02 CN claimed
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
CN-117715914-A Camptothecin analogs, conjugates, and methods of use 酵活英属哥伦比亚有限公司 2024-03-15 CN disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
WO-2020117099-A1 DIPEPTIDE LIGANDS OF TSPO THAT POSSESS NEUROPSYCHOTROPIC ACTIVITY Федеральное государственное бюджетное научное учреждение "Научно-исследовательский институт фармакологии имени В.В. Закусова" 2020-06-11 WO disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 EP disclosed
US-9440988-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-09-13 US disclosed
WO-2001027135-A9 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO UNIV JOHNS HOPKINS MED (US) 2002-08-15 WO disclosed
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES BIOMET DEUTSCHLAND GMBH (DE) 2002-03-14 US disclosed
WO-2001027135-A2 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2001-04-19 WO disclosed
EP-0473084-B1 Polyethylene glycol derivatives, their modified peptides, methods for producing them and use of the modified peptides SUMITOMO PHARMA (JP) 1995-11-15 EP disclosed
EP-0212951-B1 LABELLED NUCLEIC ACIDS AMOCO CORPORATION (US) 1993-09-15 EP disclosed
US-5155216-A Nucleic acids labeled with a chemiluminescent acridine ester AMOCO CORPORATION (US) 1992-10-13 US disclosed
WO-1990006937-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed
EP-0216553-A2 Acridine ester and acridinium ester synthesis INTEGRATED GENETICS, INC. (US) 1987-04-01 EP disclosed
EP-0212951-A2 Labelled nucleic acids AMOCO CORPORATION (US) 1987-03-04 EP 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 TDP1 2912/4885KEAP1 2806/4885NPC1 4631/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 TDP1 3043/4885KEAP1 2390/4885NPC1 4687/4885
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES CORO1C, CYCS, CORO1A TDP1 4455/4885KEAP1 1841/4885NPC1 2457/4885

“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.