SCHEMBL7111448

SCHEMBL7111448

CCOC(=O)Cc1nc(N(CC(F)(F)c2ccccn2)C(=O)OC(C)(C)C)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.37
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ADRB2 P07550 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CASR P41180 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7108627 0.90 F2 (0.39) F2CYP2D6KCNH2
SCHEMBL7154421 0.82 F2 (0.39) F2MAPT
SCHEMBL7154410 0.80 F2 (0.42) F2
SCHEMBL7156686 0.78 F2 (0.42) F2
SCHEMBL7106564 0.77 F2 (0.34) F2KDM4ECYP2D6LMNAPOLB
SCHEMBL7106214 0.73 F2 (0.36) F2CYP2D6KCNH2LMNAPOLB
SCHEMBL7154417 0.71 F2 (0.43) F2
SCHEMBL3899630 0.69 F2 (0.65) F2
SCHEMBL4840210 0.68 POLB (0.46) MEN1KMT2ARXFP1SMN1; SMN2GAA
SCHEMBL7110984 0.68 NLRP3 (0.42) KDM4EMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 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 (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-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI F2 1/4885KDM4E 4360/4885MEN1 1003/4885

“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.