SCHEMBL17544771

SCHEMBL17544771

Fc1ccc(Cn2cncc2C2CCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.51
CYP11B2 P19099 9/20 0.51
CYP19A1 P11511 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 3/20 0.37
HRH1 P35367 3/20 0.37
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2D6 P10635 2/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL32683807 0.71 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1IDO1MAPT
SCHEMBL765399 0.71 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1GPBAR1IDO1
SCHEMBL17545035 0.70 PDE1A (0.40) MEN1KMT2ACHRM1HRH1KCNH2
SCHEMBL17544724 0.69 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL28174123 0.69 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1IDO1MAPT
Hydrochloric Acid SCHEMBL6925333 0.69 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1IDO1MAPT
SCHEMBL3823466 0.68 CYP11B1 (1.00) CYP11B1CYP11B2IDO1
SCHEMBL17544474 0.68 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1IDO1NFATC1
SCHEMBL7983220 0.68 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1IDO1MAPT
SCHEMBL22862774 0.67 SMN1; SMN2 (0.40)

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 CYP11B1 2207/4885CYP11B2 3002/4885CYP19A1 946/4885

“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.