SCHEMBL1992805

SCHEMBL1992805

CCOC(=O)Cc1nn(C[C@H]2CC[C@@H](N(C)C)CC2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SSTR4 P31391 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
AKT1 P31749 1/20 0.39
CNKSR1 Q969H4 1/20 0.39
ELANE P08246 2/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
PADI4 Q9UM07 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1992806 1.00 RECQL (0.51) RECQLALDH1A1SMN1; SMN2SSTR4L3MBTL1
SCHEMBL1998303 0.85 RECQL (0.53) RECQLALDH1A1SMN1; SMN2SLC6A4HTR2A
SCHEMBL1992796 0.85 PADI4 (0.45) SSTR4CNR1ACHECNR2PADI4
SCHEMBL1992793 0.85 PADI4 (0.45) SSTR4CNR1ACHECNR2PADI4
SCHEMBL1997456 0.84 RECQL (0.55) RECQLALDH1A1SMN1; SMN2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL1992026 0.84 RECQL (0.52) RECQLALDH1A1SMN1; SMN2SSTR4L3MBTL1
SCHEMBL1992151 0.83 SMN1; SMN2 (0.48) RECQLALDH1A1SMN1; SMN2L3MBTL1ELANE
SCHEMBL1992150 0.83 SMN1; SMN2 (0.48) RECQLALDH1A1SMN1; SMN2L3MBTL1ELANE
SCHEMBL1994342 0.83 RECQL (0.55) RECQLALDH1A1SMN1; SMN2SSTR4L3MBTL1
SCHEMBL1991515 0.83 RECQL (0.55) RECQLALDH1A1SMN1; SMN2L3MBTL1GAA

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 3604/4885ALDH1A1 297/4885SMN1; SMN2 2548/4885

“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.