SCHEMBL2589901

SCHEMBL2589901

CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.41
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP8 P22894 4/20 0.39
MMP13 P45452 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
KCNH2 Q12809 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP19A1 P11511 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2596243 0.84 GRM2 (0.39) KCNH2
SCHEMBL2589883 0.83 SNCA (0.42) NR1D1MMP1MMP2MMP9MMP8
SCHEMBL2595555 0.83 NR1D1 (0.43) NR1D1MMP1MMP2MMP9MMP8
SCHEMBL16682344 0.80 KCNH2 (0.53) NR1D1MMP1MMP2MMP9MMP8
SCHEMBL27897849 0.79 ADRB2 (0.38) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL14965502 0.78 ALDH1A1 (0.42) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL2595475 0.77 RAB9A (0.45) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL2596025 0.76 NR1D1 (0.40) NR1D1MMP1MMP2MMP9MMP8
SCHEMBL2593275 0.76 CRHBP (0.54) NR1D1ALDH1A1LMNAKCNH2KMT2A
SCHEMBL16682350 0.76 NR1D1 (0.53) NR1D1MMP1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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 (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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E NR1D1 791/4885MMP1 3744/4885MMP2 2859/4885

“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.