SCHEMBL1992571

SCHEMBL1992571

CCOC(=O)Cc1nn(C2CCN(C(=O)O)CC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.47
PTGDR2 Q9Y5Y4 10/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2002226 0.87 L3MBTL1 (0.50) SMN1; SMN2RECQLALDH1A1L3MBTL1LMNA
SCHEMBL1996095 0.84 PTGDR2 (0.42) ALDH1A1PTGDR2
Hydrochloric Acid SCHEMBL1990769 0.84 RECQL (0.51) SMN1; SMN2RECQLALDH1A1PTGDR2L3MBTL1
Hydrochloric Acid SCHEMBL1990766 0.84 RECQL (0.51) SMN1; SMN2RECQLALDH1A1PTGDR2L3MBTL1
SCHEMBL1992150 0.83 SMN1; SMN2 (0.48) SMN1; SMN2RECQLALDH1A1PTGDR2L3MBTL1
SCHEMBL1992151 0.83 SMN1; SMN2 (0.48) SMN1; SMN2RECQLALDH1A1PTGDR2L3MBTL1
SCHEMBL2856965 0.78 L3MBTL1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1HTTKDM4E
SCHEMBL1989753 0.77 L3MBTL1 (0.44) SMN1; SMN2RECQLALDH1A1PTGDR2L3MBTL1
SCHEMBL1989752 0.77 L3MBTL1 (0.44) SMN1; SMN2RECQLALDH1A1PTGDR2L3MBTL1
SCHEMBL5323230 0.74 SMN1; SMN2 (0.73) SMN1; SMN2RECQLALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
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 SMN1; SMN2 2548/4885RECQL 3604/4885ALDH1A1 297/4885

“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.