SCHEMBL6749093

SCHEMBL6749093

O=C(c1ccc2c(c1)Nc1nccnc1S2)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ICAM1 P05362 17/20 0.46
HSD17B14 Q9BPX1 1/20 0.45
KMT2A Q03164 1/20 0.44
VCAM1 P19320 1/20 0.41

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
SCHEMBL6746538 0.81 ICAM1 (0.59) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6749079 0.81 ICAM1 (0.56) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6749250 0.81 KDM4E (0.50) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6747446 0.78 KDM4E (0.51) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6745635 0.77 ALDH1A1 (0.51) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6747359 0.74 KDM4E (0.51) KDM4EGAAMAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6750394 0.74 KDM4E (0.52) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6751785 0.72 ICAM1 (0.53) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6749366 0.72 KDM4E (0.54) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL6751770 0.71 ICAM1 (0.55) KDM4EGAAMAPTHPGDSMN1; 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 2 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

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 1573/4885GAA 2552/4885MAPT 1257/4885

“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.