SCHEMBL7528003

SCHEMBL7528003

CC(C)c1cccc(C(C)C)c1N[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL7532745 0.88 MAPK1 (0.48) SMN1; SMN2LMNAKMT2AGABRA1GABRG2
SCHEMBL8159500 0.81 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKMT2AGABRA1GABRG2
SCHEMBL20206259 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2AGABRA1GABRG2
SCHEMBL2090662 0.76 L3MBTL1 (0.55) KMT2AGABRA1GABRG2GABRB3CA1
SCHEMBL7567234 0.76 FABP4 (0.45) SMN1; SMN2GABRA1GABRB1GABRB2SOAT2
SCHEMBL812723 0.75 GABRA1 (0.52) SMN1; SMN2LMNAKMT2AGABRA1GABRG2
SCHEMBL3244890 0.75 L3MBTL1 (0.42) SMN1; SMN2LMNAKMT2AGABRA1GABRG2
SCHEMBL23849483 0.74 GABRA1 (0.48) SMN1; SMN2LMNAGABRA1GABRB1LPAR1
SCHEMBL6180997 0.73 GABRA1 (0.50) SMN1; SMN2LMNAKMT2AGABRA1GABRG2
SCHEMBL429149 0.71 ALDH1A1 (0.39) SMN1; SMN2LMNAKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5502198-A α-aryl or heteroaryl-substituted amide ester ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1996-03-26 US claimed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US disclosed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-6017905-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
US-5807846-A TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0730571-A1 ALPHA-ARYL OR HETEROARYL-SUBSTITUTED AMIDE ESTER ACAT INHIBITORS PARKE, DAVIS & COMPANY (US) 1996-09-11 EP disclosed
US-5502198-A α-aryl or heteroaryl-substituted amide ester ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1996-03-26 US disclosed
US-5208224-A Phosphorus containing compounds as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1993-05-04 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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders NFKBIA, IKBKB, RELA SMN1; SMN2 671/4885LMNA 2706/4885KMT2A 1326/4885

“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.