SCHEMBL3000835

SCHEMBL3000835

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES O14684 1/20 0.39
TP53 P04637 5/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3001790 0.91 KDM4E (0.40) MAPTSMN1; SMN2THRBKDM4EL3MBTL1
SCHEMBL2997500 0.91 KDM4E (0.40) MAPTSMN1; SMN2THRBKDM4EL3MBTL1
SCHEMBL3001004 0.90 KDM4E (0.39) MAPTSMN1; SMN2THRBKDM4EL3MBTL1
SCHEMBL3006452 0.90 KDM4E (0.39) MAPTSMN1; SMN2THRBKDM4EL3MBTL1
SCHEMBL3008051 0.90 KDM4E (0.39) MAPTSMN1; SMN2THRBKDM4EL3MBTL1
SCHEMBL3006446 0.90 PTGES (0.44) KMT2AMEN1PTGESPPARGPPARA
SCHEMBL4698563 0.89 PTGES (0.39) MAPTSMN1; SMN2KDM4EL3MBTL1PTGES
SCHEMBL334166 0.88 PTGES (0.40) MAPTSMN1; SMN2THRBKDM4EL3MBTL1
SCHEMBL3010510 0.88 PTGES (0.38) MAPTSMN1; SMN2THRBKDM4EL3MBTL1
SCHEMBL4700284 0.88 PTGES (0.37) KMT2AMEN1MAPTSMN1; SMN2THRB

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 KMT2A 3808/4885MEN1 2218/4885MAPT 68/4885

“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.