SCHEMBL22735909

SCHEMBL22735909

O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)NCc1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
THRB P10828 2/20 0.69
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
HTT P42858 1/20 0.47

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
SCHEMBL22735810 0.90 LMNA (0.62) LMNATHRBCYP3A4CYP2C9CYP2D6
SCHEMBL22735666 0.85 LMNA (0.59) LMNATHRBCYP3A4CYP2C9CYP2D6
SCHEMBL22735796 0.84 LMNA (0.60) LMNATHRBCYP3A4CYP2C9CYP2D6
SCHEMBL22735761 0.83 LMNA (0.58) LMNATHRBCYP3A4CYP2C9CYP2D6
SCHEMBL22735897 0.82 LMNA (0.62) LMNATHRBCYP3A4CYP2C9MAPT
SCHEMBL22735814 0.81 TP53 (0.56) LMNATHRBCYP3A4CYP2C9CYP2D6
SCHEMBL22735668 0.80 LMNA (0.55) LMNATHRBCYP3A4CYP2C9CYP2D6
SCHEMBL22735898 0.79 MAPT (0.78) LMNATHRBMAPTTP53
SCHEMBL22735649 0.79 LMNA (0.64) LMNATHRBCYP3A4CYP2C9MAPT
SCHEMBL22400666 0.74 LMNA (0.60) LMNATHRBMAPTTP53

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 2598/4885THRB 1626/4885CYP3A4 4097/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 LMNA 2781/4885THRB 1631/4885CYP3A4 3918/4885

“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.