SCHEMBL9635173

SCHEMBL9635173

N=C(N)SCCCC(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 2/20 0.50
NOS1 P29475 6/20 0.48
NOS3 P29474 3/20 0.48
NOS2 P35228 3/20 0.48
HRH4 Q9H3N8 5/20 0.48
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HRH2 P25021 1/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 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
Bromide SCHEMBL10596031 0.98 HRH4 (0.50) CYP1A2CYP2C19NOS1NOS3NOS2
SCHEMBL9635195 0.88 CYP1A2 (0.47) CYP1A2CYP2C19NOS1NOS3NOS2
SCHEMBL27960217 0.88 NOS3 (0.43) CYP1A2CYP2C19NOS1NOS3NOS2
SCHEMBL4730988 0.78 NOS1 (0.44) CYP1A2NOS1NOS3NOS2TDP1
SCHEMBL2348826 0.77 ALDH1A1 (0.52) CYP1A2NOS1NOS3NOS2TDP1
SCHEMBL20459457 0.75
SCHEMBL28723010 0.73 CYP1A2 (0.57) CYP1A2CYP2C19NOS1NOS3NOS2
Bromide SCHEMBL8582620 0.71 HRH4 (0.77) CYP1A2CYP2C19NOS1NOS3NOS2
SCHEMBL9193111 0.71 CYP1A2 (0.71) CYP1A2CYP2C19NOS1NOS3NOS2
SCHEMBL3996538 0.71 CYP2C19 (0.39) CYP2C19ALDH1A1MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357917-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
EP-3124481-B1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
EP-3124481-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
EP-2824102-B1 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2016-12-29 US disclosed
US-9481664-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9481664-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
EP-2824102-A1 Androgen receptor modulators and uses thereof Aragon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
WO-2011103202-A2 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-08-25 WO disclosed
US-7947667-B2 Aromatization; hydrolysis; deblocking, deprotecting; oxidation; for production of fulvestrant ASTRAZENECA AB (SE) 2011-05-24 US disclosed
WO-2008044033-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2008-04-17 WO disclosed
EP-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 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 (4 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-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885CYP2C19 1845/4885NOS1 4157/4885
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885CYP2C19 1845/4885NOS1 4157/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 CYP1A2 767/4885CYP2C19 1845/4885NOS1 4157/4885
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885CYP2C19 1845/4885NOS1 4157/4885

“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.