SCHEMBL17544664

SCHEMBL17544664

Fc1ccc(Cn2ccnc2C2OCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
THRB P10828 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
DBH P09172 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 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
SCHEMBL8865490 0.85 HSD17B10 (0.47) LMNAALDH1A1HTTOPRD1OPRK1
SCHEMBL9762644 0.77 KCNH2 (0.45) RAB9AHRH1KCNH2
SCHEMBL17544828 0.73 PDE1A (0.42) HRH1KCNH2LMNAALDH1A1HTT
SCHEMBL28617449 0.72 GRM2 (0.52) RAB9ACYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL17544593 0.70 PDE1A (0.42) HRH1KCNH2THRBLMNATP53
SCHEMBL7686598 0.70 RAB9A (0.48) RAB9ACYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL9836342 0.70 RAB9A (0.48) RAB9ACYP19A1CYP11B1CYP11B2THRB
SCHEMBL8866412 0.69 SIGMAR1 (0.42)
SCHEMBL10642915 0.69 RAB9A (0.47) RAB9ACYP19A1CYP11B1CYP11B2THRB
SCHEMBL22310251 0.69 RAB9A (0.48) RAB9ACYP19A1CYP11B1CYP11B2THRB

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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US 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
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 RAB9A 758/4885CYP19A1 946/4885CYP11B1 2207/4885

“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.