SCHEMBL7936748

SCHEMBL7936748

CC(C)(C)OC(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.47
ESR1 P03372 1/20 0.40
P4HTM Q9NXG6 1/20 0.39
NR1H4 Q96RI1 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A2 P23975 1/20 0.38
TBXAS1 P24557 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4D Q08499 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
SCHEMBL1768856 1.00 MET (0.47) METESR1P4HTMNR1H4KMT2A
SCHEMBL18903211 0.87 MET (0.45) METP4HTMKMT2ASMN1; SMN2KDM4E
SCHEMBL998917 0.84 CA12 (0.42) ESR1P4HTMNR1H4KMT2ASMN1; SMN2
SCHEMBL998915 0.84 CA12 (0.42) ESR1P4HTMNR1H4KMT2ASMN1; SMN2
SCHEMBL3629872 0.83 CA12 (0.56) METP4HTMKMT2ASMN1; SMN2KDM4E
SCHEMBL27697280 0.82 NFE2L2 (0.43) ESR1P4HTMNR1H4KMT2ASMN1; SMN2
SCHEMBL1806220 0.82 NFE2L2 (0.43) ESR1P4HTMNR1H4KMT2ASMN1; SMN2
SCHEMBL15278590 0.82 ESR1 (0.40) ESR1P4HTMNR1H4KMT2ASMN1; SMN2
SCHEMBL7014079 0.81 NPC1 (0.48) ESR1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL7014077 0.81 NPC1 (0.48) ESR1KMT2ASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656158-A Novel heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA SAS 2012-09-05 CN disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed
CN-1284955-A Integrin receptor antagonists MERCK & CO INC (US) 2001-02-21 CN disclosed
US-6066648-A USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH MERCK & CO., INC. (US) 2000-05-23 US disclosed
US-6017926-A Integrin receptor antagonists MERCK & CO., INC. (US) 2000-01-25 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 MET 1922/4885ESR1 2918/4885P4HTM 1091/4885

“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.