SCHEMBL16435362

SCHEMBL16435362

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 4/20 0.63
▸ HCRTR1 O43613 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ PLAUR Q03405 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 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
SCHEMBL16429252 0.89 ALDH1A1 (0.64) HCRTR2HCRTR1KDM4EALDH1A1HPGD
SCHEMBL14907102 0.79 HCRTR2 (0.82) HCRTR2HCRTR1
SCHEMBL14894780 0.78 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL10250655 0.70 KDM4E (0.54) HCRTR2HCRTR1KDM4EALDH1A1HPGD
SCHEMBL14907184 0.70 HCRTR2 (0.81) HCRTR2HCRTR1
SCHEMBL14946515 0.68 KDM4E (0.76) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL4135591 0.67 CYP2A6 (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14907256 0.67 HCRTR2 (0.82) HCRTR2HCRTR1
SCHEMBL10255798 0.66 KDM4E (0.69) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL14896430 0.65 HCRTR2 (1.00) HCRTR2HCRTR1KDM4EMAPTSMN1; SMN2

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-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

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 HCRTR2 1/4885HCRTR1 2/4885KDM4E 1493/4885

“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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