SCHEMBL4535587

SCHEMBL4535587

COCC12CN(S(=O)(=O)/C=C/c3ccc(Cl)s3)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 2/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1B P35368 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
SCHEMBL4535591 1.00 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1SMN1; SMN2F10
SCHEMBL4525233 0.86 F10 (0.36) F10
SCHEMBL4528541 0.86 F10 (0.37) F10
SCHEMBL4528535 0.86 F10 (0.37) F10
SCHEMBL6080076 0.84 F10 (0.51) F10CYP3A4CYP2D6TSHR
SCHEMBL4526469 0.82 F10 (0.37) ALDH1A1LMNAMAPK1SMN1; SMN2F10
SCHEMBL4526473 0.82 F10 (0.37) ALDH1A1LMNAMAPK1SMN1; SMN2F10
SCHEMBL4532259 0.77 F10 (0.46) F10
SCHEMBL4532216 0.77 CYP2D6 (0.45) ALDH1A1LMNAMAPK1SMN1; SMN2CYP3A4
SCHEMBL4522105 0.74 F10 (0.46) ALDH1A1LMNAMAPK1F10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A ALDH1A1 2791/4885LMNA 870/4885MAPK1 1959/4885

“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.