SCHEMBL22734709

SCHEMBL22734709

O=C1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4cccnc4)C3)ccc2N1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.72
LMNA P02545 4/20 0.66
ALDH1A1 P00352 2/20 0.66
USP2 O75604 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 1/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
TDP1 Q9NUW8 1/20 0.61
GFER P55789 1/20 0.60
TP53 P04637 2/20 0.59
MAPT P10636 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL22734792 0.92 GFER (0.71) THRBLMNAALDH1A1KMT2ATDP1
SCHEMBL22735639 0.90 THRB (0.78) THRBLMNAALDH1A1NPSR1KMT2A
SCHEMBL22734475 0.85 THRB (0.68) THRBLMNAALDH1A1TDP1GFER
SCHEMBL22734759 0.83 THRB (0.69) THRBLMNAALDH1A1NPSR1TDP1
SCHEMBL22735902 0.82 GFER (0.78) THRBLMNAALDH1A1KMT2AGFER
SCHEMBL22735653 0.81 TP53 (0.73) LMNAALDH1A1MAPK1GFERTP53
SCHEMBL22735789 0.81 THRB (0.62) THRBLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL22735808 0.79 TDP1 (0.72) THRBLMNAALDH1A1TDP1TP53
SCHEMBL22735676 0.78 THRB (0.63) THRBLMNAALDH1A1NPSR1TDP1
SCHEMBL22735889 0.78 TP53 (0.75) THRBLMNAKMT2AMEN1TDP1

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 THRB 1626/4885LMNA 2598/4885ALDH1A1 3166/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 THRB 1631/4885LMNA 2781/4885ALDH1A1 3084/4885

“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.