SCHEMBL4778732

SCHEMBL4778732

COc1cc2nncc(N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 3/20 0.46
MCOLN3 Q8TDD5 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4792971 0.99 ALDH1A1 (0.46) ALDH1A1TSHRMCOLN3GPBAR1SMN1; SMN2
SCHEMBL4792968 0.99 ALDH1A1 (0.46) ALDH1A1TSHRMCOLN3GPBAR1SMN1; SMN2
SCHEMBL4772378 0.87 ROCK1 (0.46) SMN1; SMN2
SCHEMBL4775163 0.85 KMT2A (0.40) ALDH1A1SMN1; SMN2MAPT
SCHEMBL4771930 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNATP53MAPT
SCHEMBL4772001 0.84 THRB (0.45) ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL4778505 0.83 EGFR (0.38) SMN1; SMN2
SCHEMBL5247389 0.82 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2LMNATP53
SCHEMBL4775112 0.82 KMT2A (0.46) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL4779000 0.82 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2LMNAMAPT

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 13 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
EP-1802585-A1 4-SUBSTITUTED 4,6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP claimed
US-20060160814-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-20 US claimed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
EP-1802585-A1 4-SUBSTITUTED 4,6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
US-20060160814-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-20 US disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO 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 (2 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 ALDH1A1 365/4885TSHR 2811/4885MCOLN3 2161/4885
US-20060160814-A1 Phosphodiesterase 10 inhibitors PDE5A, PDE3A, PDE2A ALDH1A1 322/4885TSHR 3045/4885MCOLN3 2241/4885

“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.