SCHEMBL6750359

SCHEMBL6750359

COCN1c2cc(Cn3ccnc3C(O)c3ccccn3)ccc2Sc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL6747178 0.83 CYP1A2 (0.44) TDP1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6749757 0.80 HDAC6 (0.41) HDAC6HDAC3HDAC1
SCHEMBL6749035 0.80 HTT (0.44) HDAC6ALDH1A1MAPT
SCHEMBL6749379 0.79 HDAC6 (0.37) HDAC6
SCHEMBL6745797 0.78 HDAC6 (0.41) HDAC6ALDH1A1HDAC3HDAC1
SCHEMBL6750355 0.78 HDAC6 (0.36) LMNAHDAC6ALDH1A1MAPTHDAC3
SCHEMBL6749755 0.77 HDAC6 (0.39) LMNAHDAC6MAPTHDAC3HDAC1
SCHEMBL6749078 0.77 HDAC6 (0.37) HDAC6HDAC3HDAC1
SCHEMBL6749064 0.76 HDAC6 (0.41) HDAC6HDAC3HDAC1
SCHEMBL6745656 0.76 HDAC6 (0.36) KMT2ALMNAHDAC6

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 TDP1 721/4885KMT2A 3395/4885CYP1A2 19/4885

“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.