SCHEMBL6749170

SCHEMBL6749170

COCN1c2cc(CNc3cc(C)nc4ccccc34)ccc2Sc2nccnc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ACP1 P24666 4/20 0.38
CYP2C19 P33261 1/20 0.38
GPR35 Q9HC97 1/20 0.38
OPRK1 P41145 1/20 0.37
MITF O75030 1/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL6749494 0.78 HDAC6 (0.35) MEN1KMT2AHDAC6
SCHEMBL6749177 0.77 RAB9A (0.43) CYP2C19HDAC6
SCHEMBL6745468 0.76 HDAC6 (0.43) KMT2AHDAC6
SCHEMBL6749341 0.75 HDAC6 (0.39) HDAC6
SCHEMBL6749062 0.75 ICAM1 (0.47) CYP2C19
SCHEMBL6749064 0.74 HDAC6 (0.41) HDAC6
SCHEMBL6746539 0.74 HDAC6 (0.41) HDAC6
SCHEMBL6749091 0.73 HDAC6 (0.43) HTTHDAC6
SCHEMBL6749080 0.73 HDAC6 (0.47) MEN1KMT2ACYP2C19MITFHDAC6
SCHEMBL6745730 0.72 HDAC6 (0.43) MEN1KMT2ATSHRHDAC6

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 NCF1 797/4885MEN1 4580/4885KMT2A 3395/4885

“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.