SCHEMBL6750296

SCHEMBL6750296

COCN1c2cc(Cn3cnc(-c4ccc(C(=O)OC)cc4)c3)ccc2Sc2nccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.42
TP53 P04637 1/20 0.37
CD74 P04233 1/20 0.35
MIF P14174 1/20 0.35
GRM2 Q14416 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 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
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL6747321 0.87 CYP11B1 (0.34) HDAC6NPC1ALDH1A1LMNAMAPT
SCHEMBL6750179 0.82 HDAC6 (0.46) HDAC6TP53MEN1KMT2APOLB
SCHEMBL6749294 0.81 HDAC6 (0.32) HDAC6
SCHEMBL6745906 0.79 HDAC6 (0.37) HDAC6MEN1KMT2ALMNA
SCHEMBL6745900 0.79 HDAC6 (0.37) HDAC6MEN1KMT2ALMNA
SCHEMBL8315505 0.78 HDAC6 (0.45) HDAC6TP53MEN1KMT2AHDAC3
SCHEMBL6745624 0.77 CYP1A2 (0.41) HDAC6TP53KMT2AHDAC3HDAC1
SCHEMBL6751792 0.76 ICAM1 (0.36) HDAC6
SCHEMBL6745730 0.76 HDAC6 (0.43) HDAC6MEN1KMT2AALDH1A1MAPT
SCHEMBL6747463 0.75 HDAC6 (0.44) HDAC6MEN1KMT2APOLBALDH1A1

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 1953/4885TP53 550/4885CD74 57/4885

“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.