SCHEMBL787119

SCHEMBL787119

CC1(C)OC(=O)N(CC(N)=O)c2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.54
ANPEP P15144 3/20 0.43
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CUL4A Q13619 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
HDAC2 Q92769 2/20 0.37

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
SCHEMBL19805080 0.82 PGR (0.74) PGRANPEPALDH1A1KMT2APKM
SCHEMBL787563 0.76 PGR (0.50) PGRANPEPALDH1A1KMT2APKM
SCHEMBL2825967 0.75 ANPEP (0.48) ANPEPALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL2824816 0.72 MAPT (0.44) ANPEPALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL787719 0.71 HDAC1 (0.39) ANPEPALDH1A1HDAC1HDAC3HDAC8
SCHEMBL4847925 0.70 PGR (1.00) PGRALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL30642207 0.68 ANPEP (0.49) ANPEPALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL20616449 0.68 PGR (0.49) PGRALDH1A1
SCHEMBL26640052 0.68 ANPEP (0.49) ANPEPALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL26756233 0.68 CUL4A (0.55) ANPEPALDH1A1KMT2APKMSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071471-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-03-22 US claimed
WO-2010103064-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-09-16 WO claimed
US-20120071471-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-03-22 US disclosed
WO-2010103064-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-09-16 WO 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-20120071471-A1 NOVEL BENZOXAZINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS PMP22, GRIN2C, NLN PGR 3945/4885ANPEP 3708/4885ALDH1A1 670/4885

“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.