SCHEMBL6749176

SCHEMBL6749176

COCN1c2cc(NC(C)=O)ccc2Sc2nccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 3/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
RAB9A P51151 1/20 0.36
TNNC1 P63316 1/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6747463 0.85 HDAC6 (0.44) LMNAHDAC6ALDH1A1POLBTSHR
SCHEMBL6745468 0.83 HDAC6 (0.43) HDAC6ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6750179 0.82 HDAC6 (0.46) LMNAHDAC6ALDH1A1POLBTP53
SCHEMBL8315505 0.82 HDAC6 (0.45) LMNAHDAC6ALDH1A1POLBTP53
SCHEMBL6745150 0.82 HDAC6 (0.44) LMNAHDAC6ALDH1A1POLBTP53
SCHEMBL6747454 0.80 HDAC6 (0.43) LMNAHDAC6ALDH1A1HSD17B10MAPT
SCHEMBL6745730 0.79 HDAC6 (0.43) HDAC6ALDH1A1TSHRHSD17B10MAPT
SCHEMBL6746539 0.78 HDAC6 (0.41) HDAC6
SCHEMBL6749064 0.78 HDAC6 (0.41) HDAC6POLBNPC1RAB9A
SCHEMBL6745548 0.78 HDAC6 (0.36) LMNAHDAC6ALDH1A1TSHRHSD17B10

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 LMNA 4878/4885HDAC6 1953/4885ALDH1A1 145/4885

“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.