SCHEMBL6746351

SCHEMBL6746351

CSc1nc(C(C)=O)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NOS2 P35228 1/20 0.38
POLB P06746 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
SCHEMBL30973939 0.88 L3MBTL1 (0.43) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL27416021 0.88 L3MBTL1 (0.43) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL26054451 0.84 L3MBTL1 (0.40) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL5904758 0.78 L3MBTL1 (0.37) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL5904763 0.78 L3MBTL1 (0.37) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL6050316 0.77 SMN1; SMN2 (0.36) GAAALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL12466701 0.77 L3MBTL1 (0.43) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL6050373 0.76 L3MBTL1 (0.54) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL6750049 0.73 MAPK8 (0.39) GAAALDH1A1KDM4ENPSR1PPARG
SCHEMBL12466679 0.73 L3MBTL1 (0.43) L3MBTL1GAAALDH1A1KDM4ETDP1

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-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 L3MBTL1 1926/4885GAA 2723/4885ALDH1A1 495/4885

“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.