SCHEMBL1815600

SCHEMBL1815600

COc1cc(-c2ccn(CCN)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSB P07858 1/20 0.37
▸ HTR7 P34969 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
SCHEMBL1814356 0.79 AR (0.38) ALDH1A1MAPTHTTTDP1
SCHEMBL1818925 0.79 SIRT6 (0.41) SIRT6PDE4DALDH1A1RAB9ASMN1; SMN2
SCHEMBL1816842 0.77 VCAM1 (0.43) MAPTTDP1
SCHEMBL1818010 0.77 HTT (0.47) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL12081603 0.75 AR (0.41) CHEK1MAPTHTTLMNAMEN1
SCHEMBL11224598 0.73 CHEK1 (0.61) CHEK1SIRT6ALDH1A1MAPTLMNA
SCHEMBL27858170 0.71 KDM1A (0.52) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL15283609 0.71 XDH (0.43) SIRT6ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL20630931 0.70 SIRT6 (0.50) CHEK1SIRT6ALDH1A1LMNATDP1
SCHEMBL310270 0.70 CYP11B1 (0.59) CHEK1SIRT6ALDH1A1MAPTRAB9A

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 19 patents. 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
US-9657003-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2017-05-23 — — US disclosed
EP-3056485-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2016-08-17 — — EP 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
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 CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885
US-10118933-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885
US-20150203479-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG CHEK1 2676/4885SIRT6 2155/4885PDE4A 380/4885

“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.

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