SCHEMBL1177439

SCHEMBL1177439

O=C(CCl)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.53
MMP2 P08253 7/20 0.53
MMP1 P03956 6/20 0.53
MMP8 P22894 6/20 0.53
ALDH1A1 P00352 2/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
NAMPT P43490 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
P2RX7 Q99572 1/20 0.48
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL8090956 1.00 MMP9 (0.53) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL1273790 1.00 MMP9 (0.53) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL4858952 1.00 MMP9 (0.53) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL23343881 0.85 MMP9 (0.56) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL14224779 0.85 MMP9 (0.56) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL29338138 0.85 MMP9 (0.53) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL6185985 0.83 MMP9 (0.43) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL4861084 0.82 MMP9 (0.51) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL4859637 0.82 MMP9 (0.51) MMP9MMP2MMP1MMP8ALDH1A1
SCHEMBL8433998 0.81 MEN1 (0.54) MMP9MMP2MMP1MMP8ALDH1A1

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
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MMP9 3056/4885MMP2 2809/4885MMP1 1983/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MMP9 3115/4885MMP2 2681/4885MMP1 2293/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 MMP9 3306/4885MMP2 3732/4885MMP1 4377/4885

“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.