SCHEMBL6749177

SCHEMBL6749177

COCN1c2cc(CNc3cccnc3)ccc2Sc2nccnc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
PDE4B Q07343 3/20 0.41
HDAC6 Q9UBN7 2/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
CSF1R P07333 1/20 0.35
LTA4H P09960 1/20 0.35
HDAC4 P56524 1/20 0.34
MEF2D Q14814 1/20 0.34
JAK2 O60674 1/20 0.34
PTK2 Q05397 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL6749494 0.89 HDAC6 (0.35) RAB9APDE4BHDAC6MRGPRX1JAK2
SCHEMBL6751864 0.83 HDAC6 (0.34) HDAC6
SCHEMBL6750151 0.83 HDAC6 (0.40) HDAC6
SCHEMBL6749210 0.82 HDAC6 (0.37) HDAC6ALDH1A1KDM4ELMNAHDAC1
SCHEMBL6749341 0.80 HDAC6 (0.39) HDAC6
SCHEMBL6745847 0.79 HDAC6 (0.37) HDAC6ALDH1A1KDM4EACHELMNA
SCHEMBL6745468 0.79 HDAC6 (0.43) HDAC6ALDH1A1KDM4EACHEHDAC1
SCHEMBL6746539 0.79 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL6747294 0.79 HDAC6 (0.39) HDAC6HDAC1
SCHEMBL6749064 0.79 HDAC6 (0.41) RAB9AHDAC6HDAC1

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 RAB9A 1768/4885PDE4B 1354/4885HDAC6 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.