SCHEMBL5755028

SCHEMBL5755028

O=Cc1ccc(OCCN2CCOCC2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 1/20 0.71
NPC1 O15118 2/20 0.63
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
ACHE P22303 1/20 0.53
LTA4H P09960 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
RAB9A P51151 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL8909081 0.87 KDM4E (0.64) KDM4EALDH1A1LTA4H
SCHEMBL30983883 0.86 KDM4E (0.65) KDM4EALDH1A1NPC1LTA4HMEN1
SCHEMBL30361104 0.85 KDM4E (0.56) KDM4EALDH1A1NPC1TSHRTP53
SCHEMBL30983972 0.85 KDM4E (0.55) KDM4EALDH1A1NPC1ACHELTA4H
SCHEMBL7314464 0.83 KDM4E (0.64) KDM4EALDH1A1NPC1TSHRTP53
SCHEMBL15474582 0.82 ALDH1A1 (0.54) KDM4EALDH1A1NPC1TSHRACHE
SCHEMBL30984033 0.82 KDM4E (0.55) KDM4EALDH1A1ACHELTA4HRAB9A
SCHEMBL1419508 0.82 KDM4E (0.54) KDM4EALDH1A1NPC1TSHRTP53
SCHEMBL1419893 0.82 CA12 (0.57) KDM4EALDH1A1NPC1TSHRTP53
SCHEMBL1958577 0.81 KDM4E (0.56) KDM4EALDH1A1NPC1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 WO disclosed
EP-1379234-B1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2006-03-29 EP disclosed
US-6919336-B2 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of IL-1 and TNF NOVARTIS AG (CH) 2005-07-19 US disclosed
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf NOVARTIS AG (CH) 2004-05-20 US disclosed
EP-1379234-A1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF Novartis AG (CH) 2004-01-14 EP disclosed
WO-2002076447-A1 HALLOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2002-10-03 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 (2 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-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf TNF, NFKBIA, IL1A KDM4E 1077/4885ALDH1A1 299/4885NPC1 3634/4885
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 KDM4E 1377/4885ALDH1A1 3700/4885NPC1 2039/4885

“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.