SCHEMBL16429252

SCHEMBL16429252

CCOC(=O)c1cc(-c2cncc(C)c2)nc2onc(-c3cccs3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.64
▸ KDM4E B2RXH2 8/20 0.64
▸ HPGD P15428 5/20 0.64
▸ GAA P10253 3/20 0.64
▸ CASP1 P29466 2/20 0.64
▸ HCRTR2 O43614 4/20 0.64
▸ HCRTR1 O43613 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ GLA P06280 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ UBE2N P61088 1/20 0.41

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
SCHEMBL16435362 0.89 HCRTR2 (0.63) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL14907102 0.80 HCRTR2 (0.82) HCRTR2HCRTR1
SCHEMBL14907184 0.71 HCRTR2 (0.81) HCRTR2HCRTR1
SCHEMBL4777731 0.68 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL10250655 0.68 KDM4E (0.54) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL2777497 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL14907104 0.67 HCRTR2 (0.88) HCRTR2HCRTR1
SCHEMBL2777247 0.66 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL8394530 0.66 JUN (0.52) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL3720931 0.66 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242995-B2 Isoxazolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-9242995-B2 Isoxazolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-20150038502-A1 ISOXAZOLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-02-05 — — US disclosed
US-20150038502-A1 ISOXAZOLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-02-05 — — 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-20150038502-A1 ISOXAZOLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R ALDH1A1 2470/4885KDM4E 1493/4885HPGD 471/4885

“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.

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