SCHEMBL6745642

SCHEMBL6745642

COC(=O)N1c2cc(C=O)ccc2Sc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 7/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
CHEK1 O14757 1/20 0.31
P2RX4 Q99571 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6747160 0.86 NOX1 (0.37) HDAC6HPGDLMNAALDH1A1
SCHEMBL6749505 0.82 HDAC6 (0.42) BCHEHDAC6LMNAKDM4ETHRB
SCHEMBL9832954 0.81 BCHE (0.64) BCHEHDAC6HPGDLMNASMN1; SMN2
SCHEMBL6745548 0.77 HDAC6 (0.36) HDAC6HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL6749407 0.75 BCHE (0.34) BCHEHDAC6
SCHEMBL7169200 0.74 ICAM1 (0.61) HDAC6
SCHEMBL6747220 0.72 BCHE (0.38) BCHEHDAC6
SCHEMBL6747666 0.68 KDM4E (0.40) HDAC6HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL6752015 0.67 HDAC6 (0.37) HDAC6HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL9832621 0.66 NOX1 (0.61) BCHEHDAC6SMN1; SMN2MAPTPOLB

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 BCHE 421/4885HDAC6 1953/4885HPGD 592/4885

“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.