SCHEMBL2700564

SCHEMBL2700564

CCC(C(N)=O)(c1ccccn1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
PGR P06401 1/20 0.42
THRB P10828 1/20 0.42
ADRB3 P13945 1/20 0.42
OPRK1 P41145 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40

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
SCHEMBL6028289 0.81 TDP1 (0.40) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL2465434 0.79 SMN1; SMN2 (0.50) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL4162402 0.76 BLM (0.45) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL666125 0.76 BLM (0.45) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL2699401 0.76 MAPT (0.48) KCNH2KDM4EHTTLMNA
SCHEMBL2053108 0.75 L3MBTL1 (0.45) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL3954412 0.75 BLM (0.44) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL13269728 0.73 L3MBTL1 (0.44) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL4030399 0.73 BLM (0.42) TDP1SLC22A2SLC22A1PGRTHRB
SCHEMBL4036415 0.73 BLM (0.42) TDP1SLC22A2SLC22A1PGRTHRB

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-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 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 (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-20100286202-A1 New Compounds REN, PCSK9, FURIN TDP1 4056/4885SLC22A2 2327/4885SLC22A1 2412/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 TDP1 3860/4885SLC22A2 1545/4885SLC22A1 1570/4885

“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.