SCHEMBL3593550

SCHEMBL3593550

CC(=Cc1cc(C)cc(F)c1N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
SLC9A3 P48764 2/20 0.37
SLC9A1 P19634 1/20 0.37
AKR1C3 P42330 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
APEX1 P27695 3/20 0.35
ERN1 O75460 1/20 0.32
NOS2 P35228 1/20 0.30

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
SCHEMBL3597473 0.75 AKR1C3 (0.46) KDM4EAKR1C3HDAC1APEX1ERN1
SCHEMBL3033598 0.72 AKR1C3 (0.42) KDM4ESLC9A3SLC9A1AKR1C3APEX1
SCHEMBL3033600 0.72 AKR1C3 (0.42) KDM4ESLC9A3SLC9A1AKR1C3APEX1
SCHEMBL544577 0.71 ERN1 (0.42) KDM4ESLC9A3SLC9A1AKR1C3APEX1
SCHEMBL544575 0.71 ERN1 (0.42) KDM4ESLC9A3SLC9A1AKR1C3APEX1
SCHEMBL20670887 0.70 KDM4E (0.47) KDM4EHDAC1HDAC6
SCHEMBL6120291 0.70 KDM4E (0.68) KDM4EHDAC1HDAC6
SCHEMBL7094608 0.69 CES2 (0.42) AKR1C3APEX1ERN1
SCHEMBL14319659 0.69 SLC9A3 (0.47) KDM4ESLC9A3SLC9A1AKR1C3APEX1
SCHEMBL7094606 0.69 CES2 (0.42) AKR1C3APEX1ERN1

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-7709491-B2 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-04 US disclosed
US-20060235032-A1 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses AIC246 AG & CO. KG (DE) 2006-10-19 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-20060235032-A1 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses TPMT, EIF2AK2, IRF3 KDM4E 1877/4885SLC9A3 3547/4885SLC9A1 4279/4885

“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.