SCHEMBL5145087

SCHEMBL5145087

CCOC(=O)C(Cc1ccc(Cl)cc1)n1ccc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMO O15229 1/20 0.40
MDM2 Q00987 3/20 0.38
ALOX15 P16050 3/20 0.38
OXER1 Q8TDS5 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTT P42858 1/20 0.37
F9 P00740 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL27666396 0.76 NPSR1 (0.49) TP53ALDH1A1MAPTNPSR1KDM4E
SCHEMBL5143421 0.75 SLC6A2 (0.46) TP53LMNAKMOOXER1HTT
SCHEMBL29174300 0.73 KMO (0.44) TP53ALDH1A1KDM4ETDP1LMNA
SCHEMBL2117444 0.72 OXER1 (0.55) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL5143014 0.72 KMO (0.55) TP53ALDH1A1MAPTMAPK1TDP1
SCHEMBL29958540 0.72 KMO (0.55) TP53ALDH1A1MAPTMAPK1TDP1
SCHEMBL3371820 0.72 EPHX2 (0.45) ALDH1A1MAPTNPSR1MAPK1EPHX2
SCHEMBL5143423 0.71 SLC6A2 (0.45) KMOOXER1SLC6A2SLC6A4
SCHEMBL10203424 0.70 KMO (0.49) TP53KMOOXER1SLC6A2SLC6A4
SCHEMBL2672619 0.70 MMP8 (0.54) TP53ALDH1A1MAPTNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663113-A4 SUBSTITUTED SULFONAMIDES MERCK & CO INC (US) 2007-06-13 EP disclosed
US-20070105914-A1 Substituted sulfonamides MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
EP-1663113-A2 SUBSTITUTED SULFONAMIDES Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005027837-A2 SUBSTITUTED SULFONAMIDES MERCK & CO., INC. (US) 2005-03-31 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 (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-20070105914-A1 Substituted sulfonamides CNR2, CNR1, FAAH TP53 4489/4885ALDH1A1 3915/4885MAPT 2166/4885

“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.