SCHEMBL4772001

SCHEMBL4772001

COc1cc2nncc(N3CCc4cc(S(=O)(=O)NC(C)C)ccc43)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
PDE10A Q9Y233 2/20 0.39
PDGFRB P09619 1/20 0.38
EGFR P00533 2/20 0.38
RAB9A P51151 1/20 0.38
CSF1R P07333 1/20 0.37

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
SCHEMBL4771930 0.90 SMN1; SMN2 (0.42) THRBTP53SMN1; SMN2LMNAPDE10A
SCHEMBL5247389 0.87 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2LMNAGAA
SCHEMBL4779000 0.87 ALDH1A1 (0.41) THRBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL4772378 0.86 ROCK1 (0.46) SMN1; SMN2PDE10APDGFRBEGFRCSF1R
SCHEMBL4778505 0.86 EGFR (0.38) THRBSMN1; SMN2PDE10APDGFRBEGFR
SCHEMBL4772005 0.85 ALDH1A1 (0.46) THRBALDH1A1LMNAGAA
SCHEMBL4792971 0.85 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL4792968 0.85 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL4772434 0.85 ALDH1A1 (0.46) THRBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL4778732 0.84 ALDH1A1 (0.48) ALDH1A1TP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A THRB 2802/4885ALDH1A1 365/4885TP53 4708/4885

“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.