SCHEMBL787920

SCHEMBL787920

NC(=O)CN1C(=O)OCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSD17B3 P37058 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL5537134 0.81 ALDH1A1 (0.47) ALDH1A1CYP2C19LMNAPOLBKMT2A
SCHEMBL787719 0.80 HDAC1 (0.39) ALDH1A1LMNAHSD17B3HTTTSHR
SCHEMBL787386 0.80 KMT2A (0.40) POLBKMT2AHTT
SCHEMBL9827897 0.78 MAPT (0.49) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL14621343 0.78 MAOA (0.40) ALDH1A1CYP2C19LMNAPOLBKMT2A
SCHEMBL578432 0.76 NOTUM (0.50) ALDH1A1CYP2C19KMT2AMEN1
Paraxazone SCHEMBL2108049 0.76 KMT2A (0.67) ALDH1A1CYP2C19LMNAPOLBKMT2A
SCHEMBL28412277 0.75 POLB (0.40) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL20548891 0.75 ADRA2A (0.48) ALDH1A1CYP2C19LMNAPOLBKMT2A
SCHEMBL3785481 0.75 POLB (0.58) ALDH1A1CYP2C19LMNAPOLBCYP2C9

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-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 ALDH1A1 670/4885CYP2C19 1277/4885LMNA 2748/4885

“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.