SCHEMBL445197

SCHEMBL445197

CCCCN(CCCC)C([O])CC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DNM1 Q05193 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
LMNA P02545 1/20 0.30
FDPS P14324 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL5243909 0.83 FDPS (0.42) CA12CA1FDPSCA2
SCHEMBL7927834 0.76 MMP1 (0.38) MMP1MMP2MMP3MMP8CA12
SCHEMBL11195464 0.72 MMP1 (0.34) MMP1MMP2MMP3MMP8CA12
SCHEMBL316766 0.71
SCHEMBL172366 0.70 MMP1 (0.33) MMP1MMP2MMP3MMP8CA12
SCHEMBL13178779 0.70 MMP1 (0.33) MMP1MMP2MMP3MMP8CA12
SCHEMBL3312355 0.70 MMP1 (0.33) MMP1MMP2MMP3MMP8CA12
SCHEMBL363491 0.70 TSHR (0.33) MMP1MMP2MMP3MMP8CA12
SCHEMBL27390123 0.70 MMP1 (0.34) MMP1MMP2MMP3MMP8CA12
SCHEMBL865548 0.69 MMP1 (0.36) MMP1MMP2MMP3MMP8CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674121-B2 Process for the production of benzofurans SANOFI (FR) 2014-03-18 US disclosed
EP-2435398-B1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI SA (FR) 2014-01-22 EP disclosed
WO-2013079866-A1 METHOD FOR PREPARING 5-AMINO-BENZOYL-BENZOFURAN DERIVATIVES SANOFI (FR) 2013-06-06 WO disclosed
EP-2542544-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESISING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-09 EP disclosed
US-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI (FR) 2012-03-15 US disclosed
WO-2010136500-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI-AVENTIS (FR) 2010-12-02 WO disclosed
EP-0818512-B1 Quinoline derivative and use of same MITSUI CHEMICALS INC (JP) 2002-10-02 EP disclosed
US-6407242-B1 REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE MITSUI CHEMICALS, INC. (JP) 2002-06-18 US disclosed
US-6132640-A ZINC COMPLEXES OF QUINOLINE MITSUI CHEMICALS, INC. (JP) 2000-10-17 US disclosed
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 EP 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-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS CYP2F1, CYP2B6, CYP4F2 MMP1 4395/4885MMP2 3478/4885MMP3 3989/4885

“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.