SCHEMBL6749494

SCHEMBL6749494

COCN1c2cc(CNc3ccc(C)nc3)ccc2Sc2nccnc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
RAB9A P51151 3/20 0.33
JAK2 O60674 1/20 0.33
PTK2 Q05397 1/20 0.33
PDE4B Q07343 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6749177 0.89 RAB9A (0.43) HDAC6HDAC1HDAC8RAB9AJAK2
SCHEMBL6751864 0.86 HDAC6 (0.34) HDAC6
SCHEMBL6749210 0.85 HDAC6 (0.37) HDAC6HDAC1MEN1KMT2AGAA
SCHEMBL6750151 0.82 HDAC6 (0.40) HDAC6
SCHEMBL7147790 0.81 HDAC6 (0.34) HDAC6HDAC1
SCHEMBL6749341 0.79 HDAC6 (0.39) HDAC6
SCHEMBL6749170 0.78 NCF1 (0.44) HDAC6MEN1KMT2A
SCHEMBL6745468 0.78 HDAC6 (0.43) HDAC6HDAC1KMT2AKDM4EALDH1A1
SCHEMBL6747294 0.78 HDAC6 (0.39) HDAC6HDAC1
SCHEMBL6749064 0.78 HDAC6 (0.41) HDAC6HDAC1RAB9ANPC1

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 1953/4885HDAC1 1667/4885HDAC8 3113/4885

“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.