SCHEMBL265970

SCHEMBL265970

COc1ccccc1C(NC=O)(OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
NFE2L2 Q16236 1/20 0.35
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL8784381 0.80 KCNN4 (0.40) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL17102000 0.71 KMT2A (0.49) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6437393 0.70 KCNN4 (0.46) KMT2AALDH1A1GAAPOLB
SCHEMBL6404528 0.70 KMT2A (0.51) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL420634 0.70 KMT2A (0.51) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL11023514 0.68 KMT2A (0.47) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL265971 0.68 KMT2A (0.39) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL2795840 0.67 KMT2A (0.56) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL17420695 0.66 KMT2A (0.48) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL5607017 0.66 GAA (0.45) MEN1KMT2AALDH1A1GAALMNA

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-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US 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 (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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 MEN1 1019/4885KMT2A 762/4885ALDH1A1 1706/4885

“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.