SCHEMBL5651878

SCHEMBL5651878

COC(=O)Cc1c(C)ccn(NCCc2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
F2 P00734 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CNR1 P21554 1/20 0.40
OPRL1 P41146 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL5649641 0.84 F2 (0.58) KDM4EMEN1KMT2AF2ALDH1A1
SCHEMBL5652515 0.76 F2 (0.59) KDM4EMEN1KMT2AF2ALDH1A1
SCHEMBL5647154 0.75 F2 (0.49) MEN1KMT2AF2ALDH1A1SMN1; SMN2
SCHEMBL30632615 0.74 HTT (0.60) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL4338 0.74 HTT (0.60) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL5649003 0.73 F2 (0.41) KDM4EMEN1KMT2AF2ALDH1A1
SCHEMBL30645136 0.71 FFAR4 (0.54) KDM4EMEN1KMT2ATDP1ALDH1A1
Nitrogen SCHEMBL29173898 0.71 HTT (0.57) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL365306 0.71 FFAR4 (0.54) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL5651411 0.70 F2 (0.61) F2

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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT KDM4E 2691/4885MEN1 1252/4885KMT2A 2105/4885

“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.