SCHEMBL6745217

SCHEMBL6745217

C=C(c1ccc2c(c1)N(COC)c1nccnc1S2)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
ICAM1 P05362 1/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
EIF4H Q15056 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
MAPT P10636 1/20 0.31
PRNP P04156 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6747555 0.82 HDAC6 (0.44) HDAC6TP53THRBICAM1LMNA
SCHEMBL8315505 0.81 HDAC6 (0.45) HDAC6TP53THRBLMNAMEN1
SCHEMBL6747463 0.80 HDAC6 (0.44) HDAC6THRBLMNAMEN1KMT2A
SCHEMBL6750179 0.79 HDAC6 (0.46) HDAC6TP53THRBLMNAMEN1
SCHEMBL6745207 0.78 EGFR (0.40) HDAC6
SCHEMBL6745210 0.78 EGFR (0.40) HDAC6
SCHEMBL6750196 0.78 HDAC6 (0.44) HDAC6THRBLMNAMEN1KMT2A
SCHEMBL6747320 0.77 HDAC6 (0.57) HDAC6TP53HDAC3HDAC1
SCHEMBL7144340 0.77 HDAC6 (0.42) HDAC6TP53THRBLMNAMEN1
SCHEMBL6745492 0.77 HDAC6 (0.40) HDAC6TP53THRBICAM1HDAC3

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 HDAC6 1953/4885TP53 550/4885THRB 4064/4885

“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.