SCHEMBL4974333

SCHEMBL4974333

c1csc([C@@H]2C[N]CCN2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4974328 1.00 NOS2 (0.35) NOS2NOS3ALDH1A1KDM4EMEN1
SCHEMBL11112281 0.82 ALDH1A1 (0.36) NOS2NOS3ALDH1A1KDM4EMEN1
SCHEMBL20292058 0.74 CHRM5 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL166764 0.74 CHRM5 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6179170 0.74 CHRM5 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5802520 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9786152 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7008410 0.73 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4599754 0.71 MEN1 (0.45) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8204301 0.71 ALDH1A1 (0.36) NOS2ALDH1A1KDM4EMEN1KMT2A

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
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US claimed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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 (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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B NOS2 766/4885NOS3 495/4885ALDH1A1 416/4885

“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.