SCHEMBL2078701

SCHEMBL2078701

CCOC(=O)c1cn([C@@H]2C[C@H]2F)c2c(C)c(F)cc(N)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.43
HTT P42858 2/20 0.42
ADRB2 P07550 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 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
SCHEMBL2078703 1.00 STAT3 (0.43) STAT3HTTADRB2ALDH1A1KDM4E
SCHEMBL2082137 0.89 STAT3 (0.41) STAT3HTTADRB2ALDH1A1KDM4E
SCHEMBL2082138 0.89 STAT3 (0.41) STAT3HTTADRB2ALDH1A1KDM4E
SCHEMBL2081039 0.89 STAT3 (0.46) STAT3HTTADRB2ALDH1A1KDM4E
SCHEMBL2081036 0.89 STAT3 (0.46) STAT3HTTADRB2ALDH1A1KDM4E
SCHEMBL2082114 0.86 TOP2A (0.42) ALDH1A1KDM4ECYP1A2KMT2ASMN1; SMN2
SCHEMBL2082116 0.86 TOP2A (0.42) ALDH1A1KDM4ECYP1A2KMT2ASMN1; SMN2
SCHEMBL4671582 0.84 STAT3 (0.46) STAT3HTTADRB2ALDH1A1KDM4E
SCHEMBL2083386 0.84 POLB (0.41) STAT3HTTADRB2ALDH1A1KDM4E
SCHEMBL2083385 0.84 POLB (0.41) STAT3HTTADRB2ALDH1A1KDM4E

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
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 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 (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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L STAT3 3955/4885HTT 1371/4885ADRB2 3952/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL STAT3 4101/4885HTT 1526/4885ADRB2 4090/4885

“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.