SCHEMBL227124

SCHEMBL227124

COc1ccccc1N[C]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL11472066 0.83 TSHR (0.41) GAAL3MBTL1KMT2AMAPK1POLB
SCHEMBL20448884 0.82 P2RX7 (0.42) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL1332772 0.82 BRD4 (0.43) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL2094680 0.81 L3MBTL1 (0.38) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL5540321 0.79 ALDH1A1 (0.48) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL22285904 0.79 ALDH1A1 (0.49) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL3624816 0.79 ALDH1A1 (0.49) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL29402576 0.79 ALDH1A1 (0.49) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL2095895 0.79 GAA (0.36) MAPTNPC1GAAL3MBTL1KMT2A
SCHEMBL5361999 0.79 GAA (0.56) ALDH1A1MAPTNPC1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248472-A Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application 中国药科大学 2021-08-13 CN claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US claimed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP claimed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP claimed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO claimed
WO-2008017840-A1 CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2008-02-14 WO claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0066378-B1 PHARMACEUTICAL SPIRO-HYDANTOIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-02 EP claimed
US-4386100-A COMPLICATIONS OF DIABETES OR GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-31 US claimed
EP-0066378-A1 Pharmaceutical spiro-hydantoin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-08 EP claimed
US-4143034-A LIGHTFAST STERLING DRUG INC. (US) 1979-03-06 US claimed
US-4116953-A 2-PHENYL-3,1-BENZOXAZIN-4-ONES, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 US claimed
US-4016151-A Phenyl-substituted phthalazone azo dyes with a coupling component of the phenol, napthol, acetoacetarylide, pyrazolone, quinolone, pyridine, pyrimidone or isoquinolone series BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-04-05 US claimed

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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 ALDH1A1 2589/4885MAPT 1553/4885NPC1 4455/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD ALDH1A1 215/4885MAPT 4075/4885NPC1 4817/4885

“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.