SCHEMBL265869

SCHEMBL265869

Cc1ccc(I)cc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
RXRA P19793 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2B Q13224 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.32
SLC6A4 P31645 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
SCHEMBL2794945 0.84 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2A
SCHEMBL15197105 0.82 CSNK2A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL266161 0.81 PDE4A (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL31098670 0.81 PDE4A (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10821843 0.79 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2ARXRA
SCHEMBL12180428 0.78 MEN1 (0.44) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL900859 0.78 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2ARXRA
SCHEMBL12548655 0.78 GRIN2B (0.37) ALDH1A1MAPTKMT2ARXRAGRIN1
SCHEMBL28651200 0.77 PDE4A (0.35) ALDH1A1SMN1; SMN2LMNASLC6A4
SCHEMBL28437121 0.76 SLC6A2 (0.35) MEN1KMT2ASMN1; SMN2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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 (2 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 ALDH1A1 1706/4885MEN1 1019/4885MAPT 2689/4885
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 ALDH1A1 538/4885MEN1 325/4885MAPT 3973/4885

“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.