SCHEMBL1998303

SCHEMBL1998303

CCOC(=O)Cc1nn(CC2CCN(C)CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.49
ROCK2 O75116 1/20 0.47
SLC6A4 P31645 13/20 0.43
HTR2A P28223 7/20 0.43
HTR2C P28335 5/20 0.43

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
SCHEMBL1997456 0.91 RECQL (0.55) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1991081 0.90 RECQL (0.49) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1991515 0.89 RECQL (0.55) RECQLSMN1; SMN2ALDH1A1ROCK2SLC6A4
SCHEMBL1998943 0.89 RECQL (0.50) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1991422 0.88 RECQL (0.47) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
Hydrochloric Acid SCHEMBL1992026 0.86 RECQL (0.52) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1996759 0.86 RECQL (0.47) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1996758 0.86 RECQL (0.47) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1996755 0.86 RECQL (0.47) RECQLSMN1; SMN2ALDH1A1SLC6A4HTR2A
SCHEMBL1992805 0.85 RECQL (0.51) 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.