SCHEMBL6747321

SCHEMBL6747321

COCN1c2cc(Cn3cnc(-c4ccc(N)cc4)c3)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6750296 0.87 HDAC6 (0.42) HDAC6NPC1RAB9AALDH1A1LMNA
SCHEMBL6749294 0.81 HDAC6 (0.32) HDAC6
SCHEMBL6746505 0.81 HDAC6 (0.35) HDAC6ALDH1A1LMNAMAPT
SCHEMBL6747294 0.79 HDAC6 (0.39) HDAC6
SCHEMBL6747445 0.77 HDAC6 (0.39) HDAC6
SCHEMBL6745906 0.77 HDAC6 (0.37) HDAC6LMNACYP3A4CYP2D6CYP2C19
SCHEMBL6745900 0.77 HDAC6 (0.37) HDAC6LMNACYP3A4CYP2D6CYP2C19
SCHEMBL6745872 0.77 HDAC6 (0.34) HDAC6
SCHEMBL6746539 0.77 HDAC6 (0.41) HDAC6
SCHEMBL6749064 0.77 HDAC6 (0.41) HDAC6NPC1RAB9A

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 CYP11B1 234/4885CYP11B2 279/4885HDAC6 1953/4885

“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.