SCHEMBL6749039

SCHEMBL6749039

C=C(c1cccnc1)c1ccc2c(c1)N(COC)c1nccnc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.32
HDAC1 Q13547 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 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
SCHEMBL7139896 0.88 HDAC6 (0.42) HDAC6SMN1; SMN2MAPTHDAC1MEN1
SCHEMBL8315505 0.81 HDAC6 (0.45) HDAC6SMN1; SMN2MAPTHDAC1MEN1
SCHEMBL6747463 0.80 HDAC6 (0.44) HDAC6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6747195 0.79 CYP17A1 (0.38) HDAC6SMN1; SMN2HDAC1HDAC8GAA
SCHEMBL6750179 0.79 HDAC6 (0.46) HDAC6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6751846 0.79 HDAC6 (0.39) HDAC6POLBKDM4ETHRBCYP3A4
SCHEMBL6745834 0.79 HDAC6 (0.43) HDAC6SMN1; SMN2HDAC1MEN1KMT2A
SCHEMBL6745805 0.78 HDAC6 (0.35) HDAC6THRBCYP3A4CYP19A1
SCHEMBL6745217 0.78 HDAC6 (0.40) HDAC6MAPTHDAC1MEN1KMT2A
SCHEMBL6749177 0.77 RAB9A (0.43) HDAC6HDAC1HDAC8RAB9AALDH1A1

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 1953/4885SMN1; SMN2 4491/4885MAPT 1257/4885

“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.