SCHEMBL17544945

SCHEMBL17544945

COC(=O)c1cc(Br)nc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
XDH P47989 2/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL13350408 0.88 KDM4E (0.53) KDM4EALDH1A1LOXL2CA12CA1
SCHEMBL17544754 0.85 KDM4E (0.51) KDM4EALDH1A1CA12CA1CA2
SCHEMBL28850425 0.84 KDM4E (0.69) KDM4EALDH1A1LOXL2CA12CA1
SCHEMBL9069519 0.83 KDM4E (0.49) KDM4EALDH1A1LOXL2CA12CA1
SCHEMBL583270 0.82 KDM4E (0.64) KDM4EALDH1A1CA12CA1CA2
SCHEMBL17545110 0.82 KDM4E (0.47) KDM4EALDH1A1LOXL2CA12CA1
SCHEMBL17544467 0.82 KDM4E (0.47) KDM4EALDH1A1LOXL2CA12CA1
SCHEMBL17545018 0.81 KDM4E (0.46) KDM4EALDH1A1LOXL2CA12CA1
SCHEMBL31347017 0.81 ALDH1A1 (0.47) KDM4EALDH1A1LOXL2CA12CA1
SCHEMBL17113134 0.81 ALDH1A1 (0.47) KDM4EALDH1A1LOXL2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
CN-107074807-A Compositions and methods for inhibiting histone demethylase 吉利德科学公司 2017-08-18 CN disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 WO 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 KDM4E 8/4885ALDH1A1 802/4885LOXL2 3330/4885

“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.