SCHEMBL6750369

SCHEMBL6750369

CCOC(=O)c1ccc2c(c1)Sc1nccnc1N2COC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
PABPC1 P11940 2/20 0.40
APOBEC3A P31941 2/20 0.40
EIF4H Q15056 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
JMJD6 Q6NYC1 3/20 0.38
LMNA P02545 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
HSD17B2 P37059 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PIK3CA P42336 1/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL6747171 0.84 PABPC1 (0.41) HDAC6PABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL6750179 0.81 HDAC6 (0.46) HDAC6PABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL8315505 0.79 HDAC6 (0.45) HDAC6PABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL6747555 0.78 HDAC6 (0.44) HDAC6MEN1KMT2ALMNAMAPT
SCHEMBL6747718 0.78 HDAC6 (0.41) HDAC6NPC1RAB9A
SCHEMBL7145894 0.77 HDAC6 (0.40) HDAC6PABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL7149128 0.75 HDAC6 (0.38) HDAC6PABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL6747320 0.75 HDAC6 (0.57) HDAC6TP53
SCHEMBL6859036 0.75 HDAC6 (0.41) HDAC6
SCHEMBL7147034 0.73 HDAC6 (0.38) HDAC6PABPC1APOBEC3AEIF4HAPOBEC3G

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 1953/4885PABPC1 582/4885APOBEC3A 4457/4885

“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.