SCHEMBL6749283

SCHEMBL6749283

COCN1c2cc(Cn3cnc4cncnc43)ccc2Sc2nccnc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
LTA4H P09960 1/20 0.36
CSF1R P07333 13/20 0.35
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
NTRK1 P04629 2/20 0.31
NTRK2 Q16620 2/20 0.31
FDPS P14324 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
SCHEMBL6749477 0.85 HDAC6 (0.40) HDAC6HDAC1LTA4H
SCHEMBL6749417 0.83 FGFR1 (0.42) HDAC6
SCHEMBL6750499 0.83 PDE10A (0.36) HDAC6
SCHEMBL6745579 0.83 DAPK1 (0.34) HDAC6
SCHEMBL6745829 0.82 DAPK1 (0.34) HDAC6
SCHEMBL6749471 0.80 DAPK1 (0.33) HDAC6
SCHEMBL6747470 0.80 HDAC6 (0.33) HDAC6
SCHEMBL6749165 0.80 HDAC6 (0.37) HDAC6HDAC1
SCHEMBL6747701 0.78 PDE10A (0.33) HDAC6
SCHEMBL6752024 0.78 PDE10A (0.54) CSF1RNTRK1NTRK2

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 1667/4885LTA4H 560/4885

“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.