SCHEMBL3219042

SCHEMBL3219042

COc1ccc([N+](=O)[O-])c(CC#N)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.52
GSR P00390 1/20 0.46
S1PR4 O95977 2/20 0.46
MAPT P10636 2/20 0.46
S1PR1 P21453 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
JAK2 O60674 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8655908 0.86 ALDH1A1 (0.41) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL5243918 0.81 TXNRD1 (0.57) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL15822128 0.81 TXNRD1 (0.61) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL14413499 0.80 TXNRD1 (0.56) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL9379235 0.80 ALDH1A1 (0.46) MAPTRAB9A
SCHEMBL2258349 0.79 PIN1 (0.46) TXNRD1MAPTMAPK1RAB9A
SCHEMBL621047 0.78 TXNRD1 (0.54) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL16750521 0.78 TXNRD1 (0.51) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL26930935 0.78 TXNRD1 (0.54) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL8657532 0.77 ALDH1A1 (0.46) TXNRD1GSRS1PR4MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2023-08-29 US disclosed
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2021-08-19 US disclosed
US-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2019-11-21 US disclosed
US-10398678-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2019-09-03 US disclosed
EP-3078374-B1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER UNIV VANDERBILT (US) 2019-06-19 EP disclosed
US-20180271835-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2018-09-27 US disclosed
US-9895351-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2018-02-20 US disclosed
US-20160303082-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY 2016-10-20 US disclosed
EP-3078374-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER Vanderbilt University (US) 2016-10-12 EP disclosed
US-9346803-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2016-05-24 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7235550-B2 Polycyclic azaindole compounds LES LABORATOIRES SERVIER (FR) 2007-06-26 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
US-6667304-B2 Affinity for melatonin receptors; sleep disorders; N-(2-(2-methoxy-6H-pyrido(2',3':4,5)pyrrolo(2,1-a)isoindol-11 -yl)ethyl)acetamide; N-(2-(3-methoxy-6,7,8,9-tetrahydropyrido (3,2-b)indolizin-5-yl) ethyl)acetamide LES LABORATOIRES SERVIER (FR) 2003-12-23 US disclosed
US-20030134847-A1 New polycyclic azaindole compounds GUILLAUMET GERALD (FR) 2003-07-17 US disclosed
US-20030105087-A1 For therapy of melatoninergic disorders GUILLAUMET GERALD (FR) 2003-06-05 US disclosed
EP-1092717-B1 Polycyclic azaindole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-08 EP disclosed
US-6495543-B1 TREATING OR PREVENTING MELATONINERGIC DISORDERS LES LABORATOIRES SERVIER (FR) 2002-12-17 US disclosed
EP-1092717-A2 Polycyclic azaindole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-04-18 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 (9 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-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 TXNRD1 715/4885GSR 735/4885S1PR4 2862/4885
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 TXNRD1 715/4885GSR 735/4885S1PR4 2862/4885
US-20180271835-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 TXNRD1 715/4885GSR 735/4885S1PR4 2862/4885
US-10398678-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 TXNRD1 715/4885GSR 735/4885S1PR4 2862/4885
US-20030134847-A1 New polycyclic azaindole compounds AZI2, DRD3, CCNI TXNRD1 4406/4885GSR 2719/4885S1PR4 2133/4885
US-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 TXNRD1 552/4885GSR 192/4885S1PR4 834/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA TXNRD1 1185/4885GSR 1547/4885S1PR4 1496/4885
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 TXNRD1 715/4885GSR 735/4885S1PR4 2862/4885
US-20160303082-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 TXNRD1 715/4885GSR 735/4885S1PR4 2862/4885

“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.