SCHEMBL4485886

SCHEMBL4485886

CC(C)(C)OC(=O)Nc1cccc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.52
TRPV1 Q8NER1 5/20 0.50
ALOX5 P09917 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
PTPN1 P18031 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
PLAT P00750 1/20 0.44
LTA4H P09960 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
SCHEMBL6432668 0.90 HDAC1 (0.46) PLAUTRPV1ALOX5MRGPRX4PTPN1
SCHEMBL1963401 0.86 MTNR1A (0.50) PLAUTRPV1NPC1RAB9A
SCHEMBL14134840 0.84 MTNR1A (0.51) PLAUTRPV1
SCHEMBL7936792 0.83 KLK5 (0.50) PTPN1HDAC1
SCHEMBL3910099 0.82 MAOB (0.53) PTPN1HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL629633 0.82 ALOX5 (0.47) ALOX5MRGPRX4PTPN1HDAC1SMN1; SMN2
SCHEMBL14433303 0.82 TRPV1 (0.53) PLAUTRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL20597195 0.82 NQO2 (0.46) PLAUALOX5MRGPRX4PTPN1HDAC1
SCHEMBL7381558 0.81 CTSV (0.52) HDAC1SMN1; SMN2NPC1RAB9APDK1
SCHEMBL22626751 0.81 NPC1 (0.50) HDAC1SMN1; SMN2NPC1RAB9APDK1

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
US-20090258910-A1 benzo[1,3]dioxol-5-yl-carbamic acid 6-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester and benzo[1,3]dioxol-5-yl-carbamic acid 8-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester; IRM LLC (BM) 2009-10-15 US disclosed
US-7569593-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-08-04 US disclosed
EP-1670780-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-12-17 EP disclosed
EP-1670780-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-21 EP disclosed
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-09-22 US disclosed
WO-2005030151-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (US) 2005-04-07 WO disclosed
EP-1090011-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
US-6410534-B1 ANTICANCER AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
EP-1090011-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2000001701-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 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 (2 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-20090258910-A1 benzo[1,3]dioxol-5-yl-carbamic acid 6-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester and benzo[1,3]dioxol-5-yl-carbamic acid 8-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-naphthalen-2-yl ester; PDGFRA, RAF1, FLT1 PLAU 3885/4885TRPV1 2192/4885ALOX5 3539/4885
US-20050209285-A1 Compounds and compositions as protein kinase inhibitors LCK, RAF1, MAP3K1 PLAU 3662/4885TRPV1 2865/4885ALOX5 4262/4885

“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.