SCHEMBL4469733

SCHEMBL4469733

CCC(I)c1cccc2c1C(=O)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 3/20 0.39
CASP3 P42574 7/20 0.39
CASP7 P55210 3/20 0.39
CASP2 P42575 2/20 0.39
CASP6 P55212 2/20 0.39
CASP8 Q14790 2/20 0.39
PARP1 P09874 5/20 0.38
GSK3A P49840 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL8356651 0.82 KDM4E (0.43) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2247260 0.81 KDM4E (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL23142622 0.81 KDM4E (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5312977 0.81 KDM4E (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10719303 0.78 KDM4E (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL166123 0.78 HPGD (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6285442 0.76 KDM4E (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3908443 0.75 GSK3B (0.48) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1256987 0.75 KDM4E (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2824441 0.75 KDM4E (0.49) KDM4EALDH1A1GAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566549-B2 Immunoassay for LSD and 2-oxo-3-hydroxy-LSD ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-07-28 US disclosed
US-20070122859-A1 Immunoassay for LSD and 2-oxo-3-hydroxy-LSD GHOSHAL MITALI 2007-05-31 US disclosed
US-7157560-B2 Immunoassay for LSD and 2-oxo-3-hydroxy-LSD ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-01-02 US disclosed
US-6794496-B2 2-OXO-DERIVATIVES OF LSD; HAPTEN DERIVATIVES USED TO PREPARE ANTIGENS, ANTIBODIES AND REAGENTS FOR USE IN IMMUNOASSAYS. ROCHE DIAGNOSTICS CORPORATION 2004-09-21 US disclosed
US-20030013131-A1 Immunoassay for LSD and 2-oxo-3-hydroxy-LSD ROCHE DIAGNOSTICS OPERATIONS, INC. 2003-01-16 US disclosed
US-20010044118-A1 Immunoassay for LSD and 2-oxo-3-hydroxy-LSD ROCHE DIAGNOSTICS OPERATIONS, INC. 2001-11-22 US disclosed
EP-1148339-A2 Immunoassay for LSD and 2-Oxo-3-Hydroxy-LSD Roche Diagnostics Corporation (US) 2001-10-24 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 (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-20010044118-A1 Immunoassay for LSD and 2-oxo-3-hydroxy-LSD HNMT, HRH3, HRH4 KDM4E 447/4885ALDH1A1 2475/4885GAA 1012/4885

“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.