SCHEMBL3066290

SCHEMBL3066290

O=C(NCc1ccccc1)c1ccc2ncc(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
PPARG P37231 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RPA1 P27694 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
TBXAS1 P24557 1/20 0.43
PTAFR P25105 1/20 0.43
IKBKB O14920 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL3067789 0.94 IKBKB (0.48) EPHX2MEN1KMT2AHDAC4HDAC1
SCHEMBL3067615 0.87 PTGDR2 (0.44) MEN1KMT2ACTDSP1PTGDR2TBXAS1
SCHEMBL3062042 0.87 POLB (0.49) MEN1KMT2ACTDSP1PTGDR2TBXAS1
SCHEMBL3057128 0.86 FYN (0.45) EPHX2PTGDR2IKBKB
SCHEMBL3069278 0.85 HPGD (0.52) MEN1KMT2ACTDSP1IKBKBRXFP1
SCHEMBL3064700 0.75 SCD (0.49) MEN1KMT2APTGDR2
SCHEMBL27920895 0.72 EPHX2 (0.80) EPHX2PPARGMEN1KMT2AL3MBTL1
SCHEMBL3461067 0.70 EPHX2 (0.66) EPHX2PPARGMEN1KMT2ARPA1
SCHEMBL2314293 0.69 MMP13 (0.61) PPARG
SCHEMBL16495831 0.69 HPGDS (0.73) EPHX2MEN1KMT2AL3MBTL1HDAC4

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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US claimed
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FADS2 EPHX2 935/4885PPARG 192/4885MEN1 4447/4885

“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.