SCHEMBL1992641

SCHEMBL1992641

CCOC(=O)Cc1nn(CC2(C)CCNCC2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 1/20 0.40
AKT1 P31749 1/20 0.40
CNKSR1 Q969H4 1/20 0.40
OPRM1 P35372 1/20 0.40
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
MAPK1 P28482 2/20 0.39
SLC6A4 P31645 6/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
TNF P01375 1/20 0.38

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
SCHEMBL1990746 0.88 RECQL (0.52) RECQLALDH1A1SMN1; SMN2OPRM1SLC6A4
SCHEMBL1991871 0.82 L3MBTL1 (0.48) RECQLALDH1A1SMN1; SMN2L3MBTL1SLC6A4
Hydrochloric Acid SCHEMBL1992026 0.79 RECQL (0.52) RECQLALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL1994342 0.78 RECQL (0.55) RECQLALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL5323230 0.73 SMN1; SMN2 (0.73) RECQLALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL1991515 0.73 RECQL (0.55) RECQLALDH1A1SMN1; SMN2L3MBTL1GAA
Hydrochloric Acid SCHEMBL1999644 0.73 RECQL (0.47) RECQLALDH1A1SMN1; SMN2L3MBTL1GAA
Hydrochloric Acid SCHEMBL1999648 0.73 RECQL (0.47) RECQLALDH1A1SMN1; SMN2L3MBTL1GAA
Hydrochloric Acid SCHEMBL1999645 0.73 RECQL (0.47) RECQLALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL14979187 0.72 ALDH1A1 (0.64) 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.