SCHEMBL2079698

SCHEMBL2079698

CCOC(=O)c1cn([C@@H]2C[C@H]2F)c2c(Cl)c(Cl)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
ADRB2 P07550 1/20 0.38
MAPT P10636 2/20 0.38
CLK1 P49759 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2079699 1.00 TDP1 (0.44) TDP1CYP3A4LMNAALDH1A1USP2
SCHEMBL9148485 0.91 TDP1 (0.43) TDP1CYP3A4LMNAALDH1A1HTT
SCHEMBL9149546 0.91 TDP1 (0.43) TDP1CYP3A4LMNAALDH1A1HTT
SCHEMBL9148480 0.91 TDP1 (0.43) TDP1CYP3A4LMNAALDH1A1HTT
SCHEMBL9145403 0.84 ADRB2 (0.47) TDP1CYP3A4LMNAALDH1A1HTT
SCHEMBL9145398 0.84 ADRB2 (0.47) TDP1CYP3A4LMNAALDH1A1HTT
SCHEMBL2082379 0.84 TDP1 (0.45) TDP1CYP3A4LMNAALDH1A1HTT
SCHEMBL2082380 0.84 TDP1 (0.45) TDP1CYP3A4LMNAALDH1A1HTT
SCHEMBL13483612 0.83 STAT3 (0.49) LMNAALDH1A1HTTPOLBBAZ2B
SCHEMBL3186787 0.83 STAT3 (0.49) LMNAALDH1A1HTTPOLBBAZ2B

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 5 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
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP 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 TDP1 3606/4885CYP3A4 198/4885LMNA 4016/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL TDP1 3358/4885CYP3A4 277/4885LMNA 3473/4885

“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.