SCHEMBL6747314

SCHEMBL6747314

COCN1c2cc(C=NO)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 9/20 0.34
NPC1 O15118 8/20 0.34
SMN1; SMN2 Q16637 7/20 0.34
NFKB1 P19838 4/20 0.34
NFKB2 Q00653 4/20 0.34
RELA Q04206 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
PAX8 Q06710 1/20 0.33
KLF5 Q13887 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32

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
SCHEMBL6745548 0.85 HDAC6 (0.36) HDAC6SMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL6749156 0.85 ALDH1A1 (0.40) HDAC6ALDH1A1POLBMAPTPKM
SCHEMBL6749215 0.83 HDAC6 (0.34) HDAC6ALDH1A1
SCHEMBL6749216 0.83 HDAC6 (0.34) HDAC6ALDH1A1
SCHEMBL6749127 0.82 MAPT (0.39) HDAC6RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6749131 0.82 MAPT (0.39) HDAC6RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6745841 0.81 GAA (0.34) HDAC6SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6747666 0.81 KDM4E (0.40) HDAC6SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL6749394 0.81 HDAC6 (0.34) HDAC6
SCHEMBL6752015 0.81 HDAC6 (0.37) HDAC6SMN1; SMN2NFKB1MEN1KMT2A

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 1953/4885RAB9A 1768/4885NPC1 2875/4885

“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.