SCHEMBL1814558

SCHEMBL1814558

O=[N+]([O-])c1ccc(-c2ccn[nH]2)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.58
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
AR P10275 9/20 0.46
SIRT6 Q8N6T7 1/20 0.42
CYP3A4 P08684 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
PGR P06401 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 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
SCHEMBL21145379 0.79 MAPT (0.50) NOTUMMEN1KMT2AHTTMITF
SCHEMBL22353104 0.79 AR (0.46) MEN1KMT2AHTTMAPTAR
SCHEMBL4554080 0.77 NOTUM (0.61) NOTUMMEN1KMT2AHTTMITF
SCHEMBL1813050 0.76 MAPT (0.47) NOTUMMEN1KMT2AHTTMITF
SCHEMBL12076512 0.76 NPC1 (0.50) NOTUMMEN1KMT2AHTTMITF
SCHEMBL29074284 0.74 CRHBP (0.49) MEN1KMT2AHTTARSIRT6
SCHEMBL11624085 0.74 KDR (0.46) MEN1KMT2AARSIRT6CYP3A4
SCHEMBL28153458 0.74 NOTUM (0.61) NOTUMSMN1; SMN2RAB9AMAPK1POLB
SCHEMBL1807875 0.73 VCAM1 (0.50) NOTUMMEN1KMT2AHTTMITF
SCHEMBL28242342 0.73 AR (0.46) NOTUMMEN1KMT2AHTTMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 US disclosed
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2019-04-04 US disclosed
US-10118933-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2018-11-06 US disclosed
EP-3369732-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2018-09-05 EP disclosed
US-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2017-09-14 US disclosed
CN-102596910-B Androgen receptor modulating compounds ORION CORP. (FI) 2015-11-25 CN disclosed
CN-105061313-A Androgen receptor modulating compounds ORION CORP 2015-11-18 CN disclosed
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION 2015-07-23 US disclosed
US-8975254-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2015-03-10 US disclosed
EP-2493858-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2014-07-02 EP disclosed
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-09-06 US disclosed
EP-2493858-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2012-09-05 EP disclosed
CN-102596910-A Androgen receptor modulating compounds ORION CORP 2012-07-18 CN disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 WO disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 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 (8 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-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885
US-10118933-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG NOTUM 2394/4885MEN1 1934/4885KMT2A 3516/4885

“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.