SCHEMBL1993828

SCHEMBL1993828

CCOC(=O)Cc1nn(CCCCN(C)C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.42
TOP2A P11388 1/20 0.42
GAA P10253 1/20 0.41
AKT1 P31749 1/20 0.41
CNKSR1 Q969H4 1/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GUCY1B2 O75343 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 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
SCHEMBL1992765 0.97 RECQL (0.56) RECQLSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL1991988 0.84 TOP2A (0.45) TOP2APOLBCYP1A2SLC6A4KDM4E
SCHEMBL1995348 0.80 ADRA1A (0.46) TOP2APOLBCYP1A2SLC6A4KDM4E
SCHEMBL5323230 0.78 SMN1; SMN2 (0.73) RECQLSMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL1991515 0.76 RECQL (0.55) RECQLSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL13013370 0.75 ADRA1A (0.43) TOP2APOLBCYP1A2SLC6A4KDM4E
SCHEMBL1992806 0.74 RECQL (0.51) RECQLSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL1992805 0.74 RECQL (0.51) RECQLSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL14979187 0.74 ALDH1A1 (0.64) RECQLSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL1998303 0.74 RECQL (0.53) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A

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 RECQL 3604/4885SMN1; SMN2 2548/4885ALDH1A1 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.