SCHEMBL4173672

SCHEMBL4173672

[NH]Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.47
▸ FDFT1 P37268 3/20 0.47
▸ FAAH O00519 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ CETP P11597 1/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL4160110 0.83 KMO (0.51) KMOHSP90AA1FDFT1FAAHMRGPRX4
SCHEMBL2347904 0.83 KMO (0.55) KMOHSP90AA1FDFT1FAAHMRGPRX4
SCHEMBL16316249 0.83 KMO (0.51) KMOHSP90AA1FDFT1FAAHMRGPRX4
SCHEMBL4173678 0.83 KMO (0.51) KMOHSP90AA1FDFT1FAAHMRGPRX4
SCHEMBL1352681 0.80 KDM4E (0.50) FDFT1ALDH1A1
SCHEMBL13719216 0.79 KMO (0.48) KMOHSP90AA1FDFT1FAAHCETP
SCHEMBL10547112 0.79 KMO (0.51) KMOHSP90AA1FDFT1FAAHMRGPRX4
SCHEMBL412543 0.78 FDFT1 (0.55) KMOHSP90AA1FDFT1FAAHCETP
SCHEMBL4179698 0.77 SMN1; SMN2 (0.60) FAAHALDH1A1LMNA
SCHEMBL21820786 0.77 HSP90AA1 (0.71) KMOHSP90AA1HTR2ASLC6A4KCNH2

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
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 — — US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 — — US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 — — US disclosed
EP-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 — — EP disclosed
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 — — EP disclosed
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 — — WO disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 — — EP disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 — — US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 — — EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 — — US disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 — — US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 — — EP disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 — — EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 — — WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 — — 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 (3 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT KMO 4145/4885HSP90AA1 1518/4885FDFT1 693/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 KMO 3675/4885HSP90AA1 2787/4885FDFT1 840/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 KMO 1710/4885HSP90AA1 2889/4885FDFT1 1777/4885

“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.

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