SCHEMBL3530774

SCHEMBL3530774

CC(NC(=O)CSc1nncn1C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 3/20 0.47
CNR1 P21554 3/20 0.46
CNR2 P34972 2/20 0.46
ATM Q13315 2/20 0.46
ABL1 P00519 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL13804791 1.00 FDFT1 (0.51) FDFT1KMT2ALMNATP53SMN1; SMN2
SCHEMBL3530193 0.74 AHR (0.53) FDFT1KMT2ATP53SMN1; SMN2L3MBTL1
SCHEMBL13804756 0.74 AHR (0.53) FDFT1KMT2ATP53SMN1; SMN2L3MBTL1
SCHEMBL3523788 0.73 FDFT1 (0.53) FDFT1CNR1CNR2
SCHEMBL13804764 0.73 FDFT1 (0.53) FDFT1CNR1CNR2
SCHEMBL13804833 0.73 FDFT1 (0.73) FDFT1CNR1CNR2
SCHEMBL3527929 0.73 FDFT1 (0.73) FDFT1CNR1CNR2
SCHEMBL6738171 0.73 FDFT1 (0.66) FDFT1CNR1CNR2
SCHEMBL13804708 0.73 FDFT1 (0.54) FDFT1CNR1CNR2
SCHEMBL3526230 0.73 FDFT1 (0.54) FDFT1KMT2APOLBCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 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-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (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 FDFT1 2654/4885KMT2A 2292/4885LMNA 1615/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG FDFT1 3461/4885KMT2A 3170/4885LMNA 1882/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH FDFT1 2654/4885KMT2A 2292/4885LMNA 1615/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH FDFT1 2654/4885KMT2A 2292/4885LMNA 1615/4885

“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.