SCHEMBL9408906

SCHEMBL9408906

N#Cc1ccccc1NCC=CF

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
TSHR P16473 3/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 4/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
KMT2A Q03164 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL9408904 1.00 KDM4E (0.53) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL10671006 0.83 KDM4E (0.53) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL3626955 0.83 KDM4E (0.53) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL29072360 0.81 KDM4E (0.56) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL29072362 0.81 KDM4E (0.56) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL3618684 0.79 KDM4E (0.56) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL7977837 0.76 GAA (0.47) KDM4ETSHRHPGDHSD17B10GAA
SCHEMBL10722506 0.73 MAPT (0.55) KDM4EHPGDGAALMNAALDH1A1
SCHEMBL5618066 0.73 MAPT (0.46) KDM4EHPGDHSD17B10GAALMNA
SCHEMBL6206235 0.72 TSHR (0.61) KDM4ETSHRHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079522-A1 ANDROGEN RECEPTOR MODULATORS AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079521-A1 ANDROGEN RECEPTOR MODULATORS AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-05-26 WO disclosed
US-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2015-02-26 US disclosed
EP-2834216-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS Catylix Inc. (US) 2015-02-11 EP disclosed
WO-2013152170-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2013-10-10 WO disclosed
EP-0623601-A1 N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-11-09 EP 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-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 KDM4E 551/4885TSHR 229/4885HPGD 3839/4885

“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.