SCHEMBL5145863

SCHEMBL5145863

O=Cc1cc(Br)oc1C=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.34
PRKDC P78527 1/20 0.33
PTPN1 P18031 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2A6 P11509 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL3095282 0.74
SCHEMBL27953557 0.74
SCHEMBL10682999 0.73 NQO1 (0.40) ERN1LMNAMEN1THRBBLM
SCHEMBL15676522 0.71 MEN1 (0.31) LMNAMEN1THRBBLMKMT2A
SCHEMBL2856832 0.66 ERN1 (0.38) ERN1PRKDCPTPN1LMNAMEN1
SCHEMBL28059595 0.63 CHRM2 (0.46) ERN1LMNAMEN1THRBBLM
SCHEMBL2237276 0.62 PRKDC (0.58) ERN1PRKDCPTPN1LMNAMEN1
SCHEMBL31649818 0.62 ERN1 (0.48) ERN1PRKDCPTPN1LMNAMEN1
SCHEMBL28167578 0.62
SCHEMBL1162124 0.60 PRKDC (0.56) ERN1PRKDCPTPN1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2007-02-22 US disclosed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 WO 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-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CASP14, CASP2, CASP3 ERN1 1157/4885PRKDC 970/4885PTPN1 2172/4885

“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.