SCHEMBL14880583

SCHEMBL14880583

COC(=O)Cc1c[nH]c2ccc(OC)nc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.65
MTNR1B P49286 12/20 0.65
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
TXNRD1 Q16881 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL9937242 0.88 MTNR1A (0.58) MTNR1AMTNR1BHTR1DHTR1BHTR1F
SCHEMBL14487776 0.87 MTNR1A (0.63) MTNR1AMTNR1BHTR1DHTR1BHTR1F
SCHEMBL25896801 0.86 MTNR1A (0.49) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL19709247 0.82 MTNR1A (0.63) MTNR1AMTNR1BHTR1DHTR1BHTR1F
SCHEMBL15242249 0.80 MTNR1A (0.67) MTNR1AMTNR1BHTR1DHTR1BHTR1F
SCHEMBL25290441 0.79 MTNR1A (0.82) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL14962811 0.79 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL12479383 0.78 MTNR1A (0.66) MTNR1AMTNR1BHTR1DHTR1BHTR1F
SCHEMBL31194205 0.77 MTNR1A (0.65) MTNR1AMTNR1BHTR1DHTR1BHTR1F
SCHEMBL31291618 0.77 MTNR1A (0.57) MTNR1AMTNR1BHTR1DHTR1BHTR1F

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 14 patents. 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
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-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-12-18 US disclosed
EP-2768499-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER Vanderbilt University (US) 2014-08-27 EP disclosed
WO-2013059245-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2013-04-25 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 (7 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 MTNR1A 520/4885MTNR1B 1060/4885HTR1D 4129/4885
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR1D 4129/4885
US-20180271835-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR1D 4129/4885
US-10398678-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR1D 4129/4885
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 426/4885MTNR1B 892/4885HTR1D 3881/4885
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR1D 4129/4885
US-20160303082-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR1D 4129/4885

“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.