SCHEMBL22533334

SCHEMBL22533334

Nn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ TP53 P04637 2/20 0.71
▸ PDE4D Q08499 2/20 0.71
▸ WEE1 P30291 1/20 0.68
▸ ABCB1 P08183 1/20 0.66
▸ KDM4E B2RXH2 5/20 0.61
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.59
▸ ALDH1A1 P00352 8/20 0.58
▸ POLB P06746 3/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ MAPT P10636 3/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ HTT P42858 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL19079783 0.86 PDE4D (0.80) SMN1; SMN2TP53PDE4DABCB1KDM4E
SCHEMBL19079736 0.85 PDE4D (0.68) SMN1; SMN2TP53PDE4DWEE1ABCB1
SCHEMBL19079788 0.84 L3MBTL1 (0.77) SMN1; SMN2TP53PDE4DABCB1KDM4E
SCHEMBL19079669 0.84 SMN1; SMN2 (0.76) SMN1; SMN2TP53PDE4DABCB1KDM4E
SCHEMBL19079698 0.83 PDE4D (1.00) SMN1; SMN2TP53PDE4DABCB1KDM4E
SCHEMBL22533299 0.83 WEE1 (0.58) SMN1; SMN2TP53PDE4DWEE1ABCB1
SCHEMBL19079786 0.81 PDE4D (0.72) SMN1; SMN2TP53PDE4DABCB1KDM4E
SCHEMBL19079713 0.79 SMN1; SMN2 (0.69) SMN1; SMN2TP53PDE4DKDM4EMEN1
SCHEMBL19079702 0.79 PDE4D (0.90) SMN1; SMN2TP53PDE4DABCB1KDM4E
SCHEMBL19079787 0.78 RXFP1 (0.62) SMN1; SMN2TP53PDE4DKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193080-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR UNIVERSITY OF THE SCIENCES (US) 2022-06-23 — — US claimed
WO-2020210582-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR UNIVERSITY OF THE SCIENCES (US) 2020-10-15 — — WO claimed
US-20220193080-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR UNIVERSITY OF THE SCIENCES (US) 2022-06-23 — — US disclosed
US-20220193080-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR UNIVERSITY OF THE SCIENCES (US) 2022-06-23 — — US disclosed
WO-2020210582-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR UNIVERSITY OF THE SCIENCES (US) 2020-10-15 — — 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-20220193080-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR GLP1R, GPR119, GIPR SMN1; SMN2 3710/4885TP53 3522/4885PDE4D 415/4885

“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.

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