SCHEMBL6864261

SCHEMBL6864261

COC(=O)CCc1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)c2ccccc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.35
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 3/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
IDH1 O75874 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MC4R P32245 1/20 0.32
MCHR1 Q99705 1/20 0.31
NPY5R Q15761 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL6861476 0.91 FFAR4 (0.37)
SCHEMBL13546033 0.91 KDM4E (0.35) KDM4EPOLBGAAMAOBMAOA
SCHEMBL29353898 0.88 GAA (0.41) GAAMAOBMAOAIDH1MEN1
SCHEMBL768820 0.88 GAA (0.41) GAAMAOBMAOAIDH1MEN1
SCHEMBL7523053 0.87 KDM4E (0.35) KDM4EPOLBGAAMAOBMAOA
SCHEMBL6862565 0.85
SCHEMBL6862569 0.84
SCHEMBL6861415 0.83
SCHEMBL6861422 0.82
SCHEMBL16182319 0.82 FFAR1 (0.39) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 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 (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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 RPS6KA3 4462/4885KDM4E 343/4885POLB 1012/4885

“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.