SCHEMBL811633

SCHEMBL811633

NC(=O)c1cc(F)c(C(N)=O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
PTPN11 Q06124 1/20 0.41
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DGAT1 O75907 1/20 0.38
CDK4 P11802 1/20 0.37

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
SCHEMBL5053787 0.86 LMNA (0.44) PARP1CES2CES1SMN1; SMN2HDAC1
SCHEMBL1799276 0.82 CES2 (0.64) PARP1CES2CES1PTPN11CYP3A4
SCHEMBL1003390 0.82 CES2 (0.44) PARP1CES2CES1DGAT1ERN1
SCHEMBL4346184 0.80 PTPN11 (0.53) PARP1CES2CES1PTPN11CYP3A4
SCHEMBL4262805 0.80 DGAT1 (0.38) PARP1CES2CES1CYP3A4HDAC1
Hydrochloric Acid SCHEMBL29810617 0.80 CES2 (0.43) PARP1CES2CES1DGAT1ERN1
Hydrochloric Acid SCHEMBL6831741 0.80 CES2 (0.61) PARP1CES2CES1PTPN11CYP3A4
SCHEMBL30326069 0.80 HDAC1 (0.59) PARP1CES2CES1PTPN11CYP3A4
SCHEMBL12121150 0.78 POLB (0.41) PARP1HDAC1HDAC6POLBDGAT1
SCHEMBL1004335 0.78 HDAC1 (0.57) PARP1CES2CES1PTPN11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341367-B Method for producing halogen-substituted benzene dimethanol SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
CN-102341367-A Method for producing halogen-substituted benzene dimethanol SUMITOMO CHEMICAL CO 2012-02-01 CN disclosed
EP-2404897-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENE DIMETHANOL Sumitomo Chemical Company, Limited (JP) 2012-01-11 EP disclosed
US-20110313197-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENE DIMETHANOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 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 (1 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-20110313197-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENE DIMETHANOL DBH, DDT, CBR3 PARP1 2355/4885CES2 312/4885CES1 2025/4885

“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.