SCHEMBL3001229

SCHEMBL3001229

CCOC(=O)c1c(/C=C/c2ccncc2)c2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
SCN9A Q15858 2/20 0.34
POLB P06746 1/20 0.34
MAOB P27338 2/20 0.33
GCK P35557 1/20 0.33
MLYCD O95822 1/20 0.33
HDAC1 Q13547 1/20 0.33
CXCR3 P49682 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33

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
SCHEMBL3001233 1.00 PTGES (0.35) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3014616 0.91 PTGES (0.40) PTGESPPARGPPARACYP3A4CYP3A5
SCHEMBL3014614 0.91 PTGES (0.40) PTGESPPARGPPARACYP3A4CYP3A5
SCHEMBL333721 0.89 PTGES (0.36) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL333722 0.89 PTGES (0.36) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL334166 0.89 PTGES (0.40) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3001790 0.86 KDM4E (0.40) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL2997378 0.85 PTGES (0.37) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL2997500 0.85 KDM4E (0.40) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3008051 0.85 KDM4E (0.39) PTGESKDM4EL3MBTL1PPARGPPARA

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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 PTGES 33/4885KDM4E 1317/4885L3MBTL1 2062/4885

“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.