SCHEMBL651934

SCHEMBL651934

CCOC(=O)c1cc(I)c(N)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAOA P21397 1/20 0.55
ESR1 P03372 4/20 0.51
NPC1 O15118 1/20 0.50
ESR2 Q92731 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL20897495 0.90 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL23484286 0.85 ESR1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL3707478 0.83 NPC1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL17535605 0.82 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1101657 0.81 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL1261188 0.81 LMNA (0.59) CA12CA1CA2CA7CA9
SCHEMBL25456063 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.80 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL7929919 0.79 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL20897578 0.79 CA12 (0.40) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034034-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR TUMORS COMPRISING SAME 주식회사 대웅제약 2025-02-13 WO disclosed
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
EP-2013196-A2 DISUBSTITUTED ANILINE COMPOUNDS Merck & Co., Inc. (US) 2009-01-14 EP disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 CA12 2286/4885CA1 1282/4885CA2 2253/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CA12 3919/4885CA1 2419/4885CA2 4158/4885
US-20090221669-A1 Disubstituted Aniline Compounds TXNRD2, BRDT, HDAC1 CA12 1984/4885CA1 188/4885CA2 621/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 CA12 4088/4885CA1 2865/4885CA2 3913/4885

“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.