SCHEMBL22735898

SCHEMBL22735898

O=C1CCCc2cc(S(=O)(=O)NCC3CCC(C(=O)NCc4ccncc4)CC3)ccc2N1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.78
LMNA P02545 2/20 0.73
TP53 P04637 5/20 0.73
POLB P06746 2/20 0.69
GFER P55789 1/20 0.55
NAMPT P43490 2/20 0.53
THRB P10828 2/20 0.52
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL22735653 0.90 TP53 (0.73) MAPTLMNATP53POLBGFER
SCHEMBL22734680 0.87 TP53 (0.80) MAPTLMNATP53POLBGFER
SCHEMBL22735650 0.86 LMNA (0.75) MAPTLMNATP53POLBGFER
SCHEMBL22734678 0.85 LMNA (0.73) MAPTLMNATP53POLBGFER
SCHEMBL22735902 0.83 GFER (0.78) LMNATP53GFERTHRBALDH1A1
SCHEMBL22400694 0.83 TP53 (0.70) MAPTLMNATP53POLBTHRB
SCHEMBL22734474 0.83 MAPT (0.68) MAPTLMNATP53POLBGFER
SCHEMBL22735761 0.82 LMNA (0.58) MAPTLMNATP53GFERTHRB
SCHEMBL22734393 0.82 LMNA (0.68) MAPTLMNATP53POLBALDH1A1
SCHEMBL22400676 0.81 MAPT (0.72) MAPTLMNATP53POLBTHRB

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 MAPT 1856/4885LMNA 2598/4885TP53 1128/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 MAPT 1820/4885LMNA 2781/4885TP53 1349/4885

“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.