SCHEMBL22735899

SCHEMBL22735899

O=C1CCCc2cc(S(=O)(=O)C3CCC(C(=O)NCCc4ccccn4)CC3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 1/20 0.48
GSK3B P49841 1/20 0.47
TP53 P04637 3/20 0.46
GFER P55789 1/20 0.45

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
SCHEMBL22734393 0.87 LMNA (0.68) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL22735643 0.87 ALDH1A1 (0.64) LMNAALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL22735789 0.84 THRB (0.62) LMNAMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL22735650 0.79 LMNA (0.75) LMNAMAPTPOLBALDH1A1GAA
SCHEMBL22735638 0.79 ALDH1A1 (0.67) LMNAALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL22735814 0.78 TP53 (0.56) LMNAMAPTTP53
SCHEMBL22734475 0.76 THRB (0.68) LMNAMAPTALDH1A1GAATP53
SCHEMBL22734758 0.76 LMNA (0.52) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL22735666 0.72 LMNA (0.59) LMNAMAPTPOLBTP53
SCHEMBL24247543 0.70 TP53 (0.39) LMNAALDH1A1SMN1; SMN2TSHRGSK3B

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-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-23 US disclosed
US-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-12-03 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-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS BET1, BRD4, BRD3 LMNA 2598/4885MAPT 1856/4885POLB 569/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 LMNA 2781/4885MAPT 1820/4885POLB 620/4885

“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.