SCHEMBL6752146

SCHEMBL6752146

O=C(NCc1ccc2c(c1)Nc1nccnc1S2)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 17/20 0.53
VCAM1 P19320 1/20 0.51
HTT P42858 1/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6749012 0.83 ICAM1 (0.60) ICAM1VCAM1
SCHEMBL6752111 0.81 ICAM1 (0.54) ICAM1VCAM1
SCHEMBL6747281 0.81 KDM4E (0.51) ICAM1VCAM1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL6747170 0.81 ICAM1 (0.51) ICAM1VCAM1GAAMAPTSMN1; SMN2
SCHEMBL6749364 0.79 ICAM1 (0.56) ICAM1
SCHEMBL6751955 0.78 ICAM1 (0.52) ICAM1VCAM1GAAMAPTSMN1; SMN2
SCHEMBL6749338 0.77 ICAM1 (0.55) ICAM1
SCHEMBL6749380 0.76 ICAM1 (0.58) ICAM1VCAM1GAAMAPTSMN1; SMN2
SCHEMBL6747641 0.76 ICAM1 (0.53) ICAM1GAAMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6749421 0.76 ICAM1 (0.60) ICAM1VCAM1GAAMAPTSMN1; SMN2

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 ICAM1 412/4885VCAM1 195/4885HTT 2395/4885

“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.