SCHEMBL6745919

SCHEMBL6745919

CN(C)S(=O)(=O)n1ccnc1C(O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TSHR P16473 4/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.35
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KAT7 O95251 1/20 0.33
KAT6A Q92794 1/20 0.33

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
SCHEMBL6422343 0.77 MAPT (0.45) RECQLKDM4ETSHRCYP3A4CYP1A2
SCHEMBL15647785 0.74 KDM4E (0.66) RECQLKDM4ETSHRMAPTALDH1A1
SCHEMBL14333359 0.74 SMN1; SMN2 (0.44) KDM4ETSHRMAPTTP53ALDH1A1
SCHEMBL14901306 0.71 ALDH1A1 (0.36) KDM4ETSHRTP53ALDH1A1
SCHEMBL6747578 0.68 TSHR (0.40) KDM4ETSHRCYP3A4CYP1A2ATM
SCHEMBL698845 0.68 KDM4E (0.38) KDM4ETSHRCYP3A4CYP1A2MAPT
SCHEMBL29864658 0.67 MAPT (0.55) RECQLKDM4ETSHRCYP3A4CYP1A2
SCHEMBL3048607 0.67 MAPT (0.55) RECQLKDM4ETSHRCYP3A4CYP1A2
SCHEMBL14334531 0.67 KDM4E (0.40) KDM4ETSHR
SCHEMBL7819356 0.66 SMN1; SMN2 (0.50) RECQLKDM4ETSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 RECQL 1862/4885KDM4E 1573/4885TSHR 3062/4885

“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.