SCHEMBL6749080

SCHEMBL6749080

COCN1c2cc(CNC(=S)NC(=O)c3ccccc3)ccc2Sc2nccnc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 9/20 0.44
MITF O75030 1/20 0.44
ALOX12 P18054 4/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL6745468 0.83 HDAC6 (0.43) HDAC6KDM4EALDH1A1KMT2AMAPT
SCHEMBL6749091 0.80 HDAC6 (0.43) HDAC6ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL6745730 0.78 HDAC6 (0.43) HDAC6KDM4EALDH1A1MEN1KMT2A
SCHEMBL6752483 0.76 HDAC6 (0.39) HDAC6KDM4EALDH1A1NPC1LMNA
SCHEMBL6749341 0.76 HDAC6 (0.39) HDAC6
SCHEMBL6749064 0.75 HDAC6 (0.41) HDAC6NPC1POLB
SCHEMBL6750179 0.75 HDAC6 (0.46) HDAC6KDM4EALDH1A1NPSR1LMNA
SCHEMBL8315505 0.74 HDAC6 (0.45) HDAC6ALDH1A1CYP1A2CYP2D6NPSR1
SCHEMBL6747281 0.74 KDM4E (0.51) KDM4EALDH1A1MITFALOX12LMNA
SCHEMBL6747463 0.73 HDAC6 (0.44) HDAC6ALDH1A1CYP1A2CYP2D6NPSR1

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 1953/4885KDM4E 1573/4885ALDH1A1 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.