SCHEMBL16292657

SCHEMBL16292657

CCC(NCc1cc(/C=N/CCO)ccn1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.34
▸ MET P08581 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KDM5C P41229 2/20 0.30
▸ KDM5B Q9UGL1 2/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ KDM5D Q9BY66 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ KDM4B O94953 1/20 0.30

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
SCHEMBL16292659 1.00 SIRT2 (0.34) SIRT2METALDH1A1KDM5CKDM5B
SCHEMBL16294292 0.83 SIRT2 (0.38) SIRT2ALDH1A1KDM5CKDM5BKDM5A
SCHEMBL16293836 0.78 KDM5B (0.37) ALDH1A1KDM5CKDM5BKDM5AKDM5D
SCHEMBL16293837 0.78 KDM5B (0.37) ALDH1A1KDM5CKDM5BKDM5AKDM5D
SCHEMBL18880294 0.78 KDM5B (0.33) ALDH1A1KDM5CKDM5BKDM5AKDM5D
SCHEMBL18880304 0.76 CACNA1B (0.38) ALDH1A1
SCHEMBL16303336 0.76 CACNA1B (0.38) ALDH1A1
SCHEMBL16293754 0.76 CACNA1B (0.38) ALDH1A1
SCHEMBL16292658 0.75 KDM5B (0.40) ALDH1A1KDM5CKDM5BKDM5AKDM5D
SCHEMBL18880295 0.74 KDM5B (0.51) ALDH1A1KDM5CKDM5BKDM5AKDM5D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (2 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIRT2 592/4885MET 2008/4885ALDH1A1 1536/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIRT2 592/4885MET 2008/4885ALDH1A1 1536/4885

“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.

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