SCHEMBL10102999

SCHEMBL10102999

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nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19941102 0.77 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL12408297 0.73
SCHEMBL1106080 0.72 THRB (0.40) SMN1; SMN2
SCHEMBL1106133 0.72 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL8352516 0.70
SCHEMBL2936980 0.67 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL22792440 0.66 CHRM2 (0.39)
SCHEMBL10994153 0.65 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C9CYP2C19
SCHEMBL31711317 0.65 PRKCA (0.36) SMN1; SMN2CYP2C19
SCHEMBL21350680 0.65 SMN1; SMN2 (0.34) SMN1; SMN2

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-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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 (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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 SMN1; SMN2 4159/4885CYP2C9 274/4885CYP2C19 310/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 SMN1; SMN2 4168/4885CYP2C9 231/4885CYP2C19 275/4885

“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.