SCHEMBL3689658

SCHEMBL3689658

COc1ccc2[nH]cc(CCN(C(C)=O)C(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MTNR1A P48039 5/20 0.57
HTR1A P08908 4/20 0.57
MTNR1B P49286 4/20 0.57
CYP2D6 P10635 3/20 0.57
HTR2B P41595 3/20 0.57
HTR2A P28223 3/20 0.57
HTR1D P28221 3/20 0.57
CYP1A2 P05177 2/20 0.57
HTR1B P28222 2/20 0.57
HTR2C P28335 2/20 0.57
HTR1E P28566 2/20 0.57
HTR7 P34969 2/20 0.57
HTR5A P47898 2/20 0.57
HTR6 P50406 2/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTR1F P30939 1/20 0.57
HTR3A P46098 1/20 0.57

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
SCHEMBL4075720 0.87 KMT2A (0.72) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL5085972 0.82 KMT2A (0.65) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL5085568 0.82 KMT2A (0.65) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL14639277 0.80 MTNR1A (0.64) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL5144423 0.79 KMT2A (0.74) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL466333 0.79 KMT2A (0.70) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL5227242 0.78 KMT2A (0.69) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL16058705 0.78 KMT2A (0.69) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL28414663 0.78 KMT2A (0.69) KMT2AMTNR1AHTR1AMTNR1BCYP2D6
SCHEMBL5146979 0.76 KMT2A (0.66) KMT2AMTNR1AHTR1AMTNR1BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709730-A1 TREATMENT AND PROGNOSIS OF CANCER Western Connecticut Health Network, Inc. (US) 2014-03-26 EP claimed
US-20120295932-A1 METHOD FOR THE TREATMENT OF CANCER Western Connecticut Health Network, Inc. (US) 2012-11-22 US claimed
WO-2012158358-A1 TREATMENT AND PROGNOSIS OF CANCER Western Connecticut Health Network, Inc. (US) 2012-11-22 WO claimed
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2023-08-29 US disclosed
US-20230017359-A1 METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2023-01-19 US disclosed
EP-4071473-A1 METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION Ascentawits Pharmaceuticals, Ltd. (CN) 2022-10-12 EP disclosed
US-11215617-B2 Treatment of metastatic prostate cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-04 US disclosed
EP-3062808-B1 TREATMENT OF METASTATIC PROSTATE CANCER UNIV CALIFORNIA (US) 2021-09-29 EP disclosed
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2021-08-19 US disclosed
WO-2021110085-A1 METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION 深圳艾欣达伟医药科技有限公司 2021-06-10 WO disclosed
US-20200041516-A1 TREATMENT OF METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-06 US disclosed
US-9346803-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2016-05-24 US disclosed
WO-2015065919-A1 TREATMENT OF METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-07 WO 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
EP-2709730-A1 TREATMENT AND PROGNOSIS OF CANCER Western Connecticut Health Network, Inc. (US) 2014-03-26 EP disclosed
WO-2013059245-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2013-04-25 WO disclosed
US-20120295932-A1 METHOD FOR THE TREATMENT OF CANCER Western Connecticut Health Network, Inc. (US) 2012-11-22 US disclosed
WO-2012158358-A1 TREATMENT AND PROGNOSIS OF CANCER Western Connecticut Health Network, Inc. (US) 2012-11-22 WO disclosed
WO-2010044686-A1 AKR1C3 AS A BIOMARKER, METHODS OF SELECTING AND TREATING PATIENTS BASED UPON AN AKR1C3 PROFILE AND COMPOUNDS FOR USE THEREIN AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-22 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 (6 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-11215617-B2 Treatment of metastatic prostate cancer AR, AKR1C3, AKR1C4 KMT2A 1410/4885MTNR1A 325/4885HTR1A 1940/4885
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 KMT2A 3904/4885MTNR1A 520/4885HTR1A 3755/4885
US-20230017359-A1 METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION AKR1C2, AKR1A1, AKR1B1 KMT2A 3442/4885MTNR1A 190/4885HTR1A 1969/4885
US-20200041516-A1 TREATMENT OF METASTATIC PROSTATE CANCER AR, AKR1C3, AKR1C4 KMT2A 1410/4885MTNR1A 325/4885HTR1A 1940/4885
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 KMT2A 3865/4885MTNR1A 426/4885HTR1A 3564/4885
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 KMT2A 3904/4885MTNR1A 520/4885HTR1A 3755/4885

“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.