SCHEMBL1994908

SCHEMBL1994908

CCOC(=O)Cc1nn(CC2CN(C(=O)OC(C)(C)C)C2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 1/20 0.48
ROCK1 Q13464 1/20 0.48
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NAMPT P43490 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CNR2 P34972 1/20 0.39
SLC6A4 P31645 6/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 2/20 0.38
GAA P10253 1/20 0.38
AKT1 P31749 1/20 0.38
CNKSR1 Q969H4 1/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL1993899 0.91 L3MBTL1 (0.48) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL1991515 0.85 RECQL (0.55) L3MBTL1RECQLALDH1A1SMN1; SMN2SLC6A4
SCHEMBL15882015 0.84 ROCK1 (0.53) L3MBTL1ROCK1NAMPTF2PLAU
SCHEMBL1991434 0.84 L3MBTL1 (0.44) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL1991437 0.84 L3MBTL1 (0.44) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL1994342 0.81 RECQL (0.55) L3MBTL1RECQLALDH1A1SMN1; SMN2SLC6A4
SCHEMBL1991871 0.80 L3MBTL1 (0.48) L3MBTL1RECQLALDH1A1SMN1; SMN2CHRM2
SCHEMBL17324782 0.80 ROCK1 (0.55) ROCK1NAMPTCHRM2CHRM4CHRM1
SCHEMBL15882047 0.80 ROCK1 (0.55) ROCK1NAMPTCHRM2CHRM4CHRM1
SCHEMBL23915623 0.80 RECQL (0.47) RECQLROCK1ALDH1A1SMN1; SMN2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO L3MBTL1 3898/4885RECQL 3604/4885ROCK1 4310/4885

“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.