SCHEMBL7072083

SCHEMBL7072083

Cc1nc(-c2cccc(CN(C(=O)C(F)(F)F)c3ccccc3)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 3/20 0.46
HDAC1 Q13547 9/20 0.44
HDAC6 Q9UBN7 9/20 0.44
HDAC8 Q9BY41 6/20 0.44
FFAR4 Q5NUL3 1/20 0.42
HDAC5 Q9UQL6 3/20 0.42
DAO P14920 1/20 0.42
MET P08581 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7070559 0.81 L3MBTL1 (0.47) L3MBTL1TP53HDAC1HDAC6FFAR4
SCHEMBL7075442 0.80 TSHR (0.45) L3MBTL1TP53HDAC1HDAC6HDAC8
SCHEMBL7097280 0.79 MAPT (0.45) L3MBTL1TP53FFAR4DAORAB9A
SCHEMBL12747582 0.75 L3MBTL1 (0.62) L3MBTL1TP53FFAR4DAOMET
SCHEMBL7097848 0.74 MAPT (0.41) L3MBTL1TP53HDAC1HDAC6FFAR4
SCHEMBL7098774 0.74 PDE4A (0.46) TP53FFAR4RAB9ALMNANPC1
SCHEMBL15100794 0.73 MGLL (0.65) L3MBTL1TP53HDAC1HDAC6FFAR4
SCHEMBL7096610 0.73 PDE4A (0.42) L3MBTL1TP53HDAC1HDAC6FFAR4
SCHEMBL20408693 0.73 MGLL (0.53) L3MBTL1TP53HDAC1HDAC6FFAR4
SCHEMBL7116372 0.73 L3MBTL1 (0.59) L3MBTL1FFAR4DAOMETRAB9A

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-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia MERCK-PATENT GMBH (DE) 2003-10-02 US disclosed
US-20030171579-A1 Urethane derivatives MERCK PATENT GMBH (DE) 2003-09-11 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-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia F12, F11, PLAT L3MBTL1 2304/4885TP53 3831/4885HDAC1 297/4885
US-20030171579-A1 Urethane derivatives UTS2R, PLAUR, IL1A L3MBTL1 3573/4885TP53 4080/4885HDAC1 1268/4885

“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.