SCHEMBL566202

SCHEMBL566202

Cn1cc(Cl)c(=O)n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.35
PIK3CD O00329 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
NTSR1 P30989 1/20 0.35
MC3R P41968 1/20 0.35
NOTUM Q6P988 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35

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
SCHEMBL3078617 0.73 ERN1 (0.47) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL10794183 0.73 KMT2A (0.39) GAAL3MBTL1ALDH1A1LMNATSHR
SCHEMBL3806350 0.71 ERN1 (0.42) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL3189250 0.71 TSHR (0.44) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL480683 0.71 LMNA (0.39) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL1689852 0.71 LMNA (0.39) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL25980044 0.71 ADORA2B (0.45) GAAALDH1A1LMNAPOLBADORA2B
SCHEMBL17035691 0.70 ERN1 (0.35) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL11714174 0.70 TSHR (0.37) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL3000414 0.70 LMNA (0.53) GAAL3MBTL1ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516960-A A method of new prepares Urapidil 河北品制药股份有限公司 2019-03-26 CN claimed
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
CN-109516960-A A method of new prepares Urapidil 河北品制药股份有限公司 2019-03-26 CN disclosed
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 WO disclosed
EP-1138657-A1 Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-04 EP disclosed
US-6270843-B1 REACTING A SALT COMPRISING ANIONIC FORM OF SUBSTITUENT WITH AN ELECTROPHILIC FLUORINATION AGENT TO PROVIDE AN ELECTROPHILE COMPRISING CATIONIC FORM OF SUBSTITUENT; ELECTROPHILICALLY SUBSTITUTING ELECTROPHILE ON SUBSTRATE AIR PRODUCTS AND CHEMICALS, INC. 2001-08-07 US disclosed
EP-0125523-A2 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1984-11-21 EP disclosed
US-4171429-A Pyrimidine to pyrimidine transformation process RESEARCH CORPORATION (US) 1979-10-16 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 GAA 109/4885L3MBTL1 502/4885ALDH1A1 3735/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 GAA 109/4885L3MBTL1 502/4885ALDH1A1 3735/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 GAA 109/4885L3MBTL1 502/4885ALDH1A1 3735/4885

“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.