SCHEMBL680327

SCHEMBL680327

Cn1c(=O)c2c([S+](C)[O-])n(Cc3ccc(-n4ccnc4)cc3)nc2n(CC(C)(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PDE1B Q01064 3/20 0.34
PDE2A O00408 1/20 0.34
PDE4D Q08499 1/20 0.34
KAT2B Q92831 1/20 0.34
ABL1 P00519 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBXAS1 P24557 2/20 0.31
LSS P48449 1/20 0.31
NOTUM Q6P988 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1C Q14123 1/20 0.30
CYP3A4 P08684 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL675988 0.84 DPP4 (0.38) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL676382 0.82 PDE1B (0.48) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL680333 0.80 PDE1B (0.43) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL7448044 0.70 CNR1 (0.42) ALDH1A1PDE1BPDE2APDE4DTSHR
SCHEMBL8045647 0.69 PDE1B (0.64) SMN1; SMN2ALDH1A1PDE1BPDE2APDE4D
SCHEMBL676509 0.68 DPP4 (0.39) SMN1; SMN2ALDH1A1PDE1BPDE2APDE4D
SCHEMBL675773 0.68 USP1 (0.42) PDE1BPDE2APDE4DCYP3A4
SCHEMBL674792 0.68 DPP4 (0.38) SMN1; SMN2ALDH1A1PDE1BPDE2APDE4D
SCHEMBL17507917 0.68 PDE2A (0.42) PDE1BPDE2APDE4D
SCHEMBL676380 0.66 PDE1B (0.49) PDE1BPDE2APDE4DPDE1APDE1C

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-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 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-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 SMN1; SMN2 3003/4885ALDH1A1 216/4885PDE1B 4855/4885

“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.