SCHEMBL3476170

SCHEMBL3476170

[CH2]CCCCCCC(=O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.80
MAPT P10636 3/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
LMNA P02545 2/20 0.80
HDAC1 Q13547 8/20 0.71
HDAC8 Q9BY41 7/20 0.71
HDAC3 O15379 3/20 0.71
HDAC2 Q92769 3/20 0.71
HDAC4 P56524 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC10 Q969S8 2/20 0.71
HDAC11 Q96DB2 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58

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
SCHEMBL17707227 1.00 TDP1 (0.80) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL443400 1.00 TDP1 (0.80) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL8206495 1.00 TDP1 (0.80) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL55019 0.98 TDP1 (0.76) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL443844 0.92 TDP1 (0.72) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL9057671 0.89 TDP1 (1.00) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL27516050 0.89 TDP1 (1.00) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL8519287 0.89 TDP1 (1.00) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7068671 0.87 TDP1 (0.95) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL10458606 0.86 L3MBTL1 (0.59) TDP1MAPTL3MBTL1LMNAHDAC1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed
CN-1093535-C Imidazole derivative SHIONOGI & CO (JP) 2002-10-30 CN disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed
CN-1158609-A Imidazole derivative SHIONOGI & CO (JP) 1997-09-03 CN disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP 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 (4 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH TDP1 3002/4885MAPT 933/4885L3MBTL1 3168/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH TDP1 3002/4885MAPT 933/4885L3MBTL1 3168/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG TDP1 2459/4885MAPT 662/4885L3MBTL1 3941/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH TDP1 3002/4885MAPT 933/4885L3MBTL1 3168/4885

“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.