SCHEMBL6746495

SCHEMBL6746495

COCN1c2cc(C(=O)Cc3ccccn3)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
THRB P10828 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DRD2 P14416 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL6750196 0.84 HDAC6 (0.44) HDAC6RAB9ANPC1KDM4ETHRB
SCHEMBL6848543 0.84 HDAC6 (0.43) HDAC6MAPTTHRBMEN1KMT2A
SCHEMBL7144340 0.84 HDAC6 (0.42) HDAC6MAPTTHRBMEN1KMT2A
SCHEMBL8315505 0.83 HDAC6 (0.45) HDAC6MAPTTHRBMEN1KMT2A
SCHEMBL6745150 0.83 HDAC6 (0.44) HDAC6MAPTKDM4ETHRBMEN1
SCHEMBL6747555 0.82 HDAC6 (0.44) HDAC6MAPTTHRBMEN1KMT2A
SCHEMBL6747463 0.82 HDAC6 (0.44) HDAC6MAPTTHRBMEN1KMT2A
SCHEMBL6745834 0.81 HDAC6 (0.43) HDAC6THRBMEN1KMT2ADRD2
SCHEMBL6750179 0.81 HDAC6 (0.46) HDAC6MAPTKDM4ETHRBMEN1
SCHEMBL6747320 0.80 HDAC6 (0.57) HDAC6TP53HDAC3HDAC1HDAC4

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 2 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

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 1953/4885RAB9A 1768/4885NPC1 2875/4885

“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.