SCHEMBL787386

SCHEMBL787386

NC(=O)CN1C(=O)OCc2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMO O15229 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 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
SCHEMBL787719 0.84 HDAC1 (0.39) RAB9AHDAC1HDAC8HDAC6HTT
SCHEMBL787920 0.80 ALDH1A1 (0.41) KMT2APOLBHTT
SCHEMBL661388 0.79 HDAC1 (0.44) KMT2APOLBHDAC1HDAC8HDAC6
SCHEMBL2335934 0.78 HDAC6 (0.58) KMT2AHDAC1HDAC8HDAC6
SCHEMBL29868403 0.70 KMO (0.44) KMT2APOLBHDAC1HDAC8HDAC6
SCHEMBL661562 0.70 KMO (0.44) KMT2APOLBHDAC1HDAC8HDAC6
SCHEMBL3070719 0.70 CCR1 (0.55)
SCHEMBL14615628 0.69 NPC1 (0.40) NPC1POLBRAB9AL3MBTL1
SCHEMBL2888546 0.69 NOTUM (0.54) HDAC1HDAC8HDAC6
SCHEMBL8705160 0.69 ALDH3A1 (0.58) KMT2APOLB

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 KMT2A 1962/4885NPC1 254/4885POLB 4733/4885

“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.