SCHEMBL6749892

SCHEMBL6749892

COCN1c2cc(C=O)c(OC)cc2Sc2nccnc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.34
FGFR1 P11362 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL6745548 0.80 HDAC6 (0.36) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL6747458 0.76 HDAC6 (0.40) ALDH1A1MAPTLMNAHPGDHDAC6
SCHEMBL6752199 0.75 LMNA (0.39) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6747122 0.73 HDAC6 (0.33) HDAC6
SCHEMBL6749341 0.73 HDAC6 (0.39) HDAC6
SCHEMBL6746505 0.72 HDAC6 (0.35) ALDH1A1KDM4EMAPTLMNAHDAC6
SCHEMBL8315505 0.72 HDAC6 (0.45) ALDH1A1TSHRMAPTLMNAHPGD
SCHEMBL6749379 0.72 HDAC6 (0.37) HDAC6
SCHEMBL6750490 0.71 HDAC6 (0.35) LMNAHDAC6
SCHEMBL6747463 0.71 HDAC6 (0.44) ALDH1A1TSHRTDP1MAPTLMNA

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 ALDH1A1 145/4885KDM4E 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.