SCHEMBL6747281

SCHEMBL6747281

O=C(NC(=S)NCc1ccc2c(c1)Nc1nccnc1S2)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ALOX12 P18054 2/20 0.50
MITF O75030 1/20 0.50
ICAM1 P05362 15/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
VCAM1 P19320 1/20 0.45

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
SCHEMBL6752146 0.81 ICAM1 (0.53) KDM4EICAM1MEN1KMT2AVCAM1
SCHEMBL6749012 0.79 ICAM1 (0.60) ICAM1VCAM1
SCHEMBL6752111 0.77 ICAM1 (0.54) ICAM1VCAM1
SCHEMBL6747234 0.74 ICAM1 (0.63) ICAM1VCAM1
SCHEMBL6749080 0.74 HDAC6 (0.47) KDM4EALDH1A1ALOX12MITFMEN1
Hydrochloric Acid SCHEMBL6749329 0.74 ICAM1 (0.55) KDM4EICAM1
SCHEMBL6747638 0.73 ICAM1 (0.63) ICAM1VCAM1
SCHEMBL6749338 0.73 ICAM1 (0.55) ICAM1
SCHEMBL6747426 0.73 ICAM1 (0.62) KDM4EICAM1VCAM1
Hydrochloric Acid SCHEMBL8316282 0.72 ICAM1 (0.62) ICAM1VCAM1

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 KDM4E 1573/4885ALDH1A1 145/4885ALOX12 2323/4885

“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.