SCHEMBL3978952

SCHEMBL3978952

C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1nc2ccccc2n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3978949 1.00 HDAC6 (0.44) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3978953 1.00 HDAC6 (0.44) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3978941 1.00 HDAC6 (0.44) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3976250 0.84 KDM4E (0.50) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3976248 0.84 KDM4E (0.50) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3977899 0.84 KDM4E (0.50) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3978938 0.84 KDM4E (0.50) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3978940 0.84 KDM4E (0.50) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3978947 0.84 KDM4E (0.50) HDAC6HTTNPSR1KDM4ESMN1; SMN2
SCHEMBL3976251 0.84 KDM4E (0.50) HDAC6HTTNPSR1KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 US disclosed
EP-1620409-B1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-01-09 EP disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 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-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R HDAC6 1300/4885HTT 618/4885NPSR1 7/4885

“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.