SCHEMBL1769024

SCHEMBL1769024

COc1ccc(/C=N/CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 2/20 0.49
GFER P55789 1/20 0.49
GSK3B P49841 2/20 0.49
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
F3 P13726 1/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL1769027 1.00 CYP1A2 (0.57) CYP1A2KMT2APOLBSMN1; SMN2NPC1
SCHEMBL23326817 1.00 CYP1A2 (0.57) CYP1A2KMT2APOLBSMN1; SMN2NPC1
SCHEMBL7630936 0.98 CYP1A2 (0.55) CYP1A2KMT2APOLBSMN1; SMN2NPC1
SCHEMBL1769120 0.85 KMT2A (0.58) CYP1A2KMT2APOLBSMN1; SMN2NPC1
SCHEMBL1769121 0.85 KMT2A (0.58) CYP1A2KMT2APOLBSMN1; SMN2NPC1
SCHEMBL23345343 0.85 KMT2A (0.58) CYP1A2KMT2APOLBSMN1; SMN2NPC1
SCHEMBL23345380 0.83 KMT2A (0.53) CYP1A2KMT2APOLBSMN1; SMN2RAB9A
SCHEMBL7630927 0.83 KMT2A (0.53) CYP1A2KMT2APOLBSMN1; SMN2THRB
SCHEMBL7630934 0.83 KMT2A (0.53) CYP1A2KMT2APOLBSMN1; SMN2THRB
SCHEMBL6117540 0.82 CYP1A2 (0.53) CYP1A2KMT2APOLBSMN1; SMN2NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108938-B Chiral alpha-substituted deuterated amino acid compound and preparation method thereof 武汉大学 2024-04-19 CN disclosed
US-9321769-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2016-04-26 US disclosed
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2015-08-20 US disclosed
US-9051321-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2015-06-09 US disclosed
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2014-12-04 US disclosed
US-8846711-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-09-30 US disclosed
EP-2501693-B1 AZA HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS BACTERICIDES FAB PHARMA SAS (FR) 2014-09-17 EP disclosed
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2012-11-01 US disclosed
EP-2501693-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB Pharma SAS (FR) 2012-09-26 EP disclosed
WO-2011061214-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-05-26 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 (3 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-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS CYP1A2 237/4885KMT2A 4479/4885POLB 2880/4885
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS CYP1A2 237/4885KMT2A 4479/4885POLB 2880/4885
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS CYP1A2 237/4885KMT2A 4479/4885POLB 2880/4885

“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.