SCHEMBL2352269

SCHEMBL2352269

CCCC(c1ccc(C#N)cc1OCc1ccc(Br)cc1)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.43
CYP26A1 O43174 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP17A1 P05093 2/20 0.40
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CCR5 P51681 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
SCHEMBL2352077 0.93 CYP19A1 (0.43) CYP19A1CYP26A1CYP3A4CYP17A1FNTA
SCHEMBL2356870 0.90 CYP17A1 (0.40) CYP19A1CYP26A1CYP3A4CYP17A1FNTA
SCHEMBL11704299 0.83 CYP19A1 (0.48) CYP19A1CYP17A1
SCHEMBL2351260 0.83 CYP19A1 (0.39) CYP19A1CYP26A1CYP3A4CYP17A1FNTA
SCHEMBL2356031 0.82 CYP26A1 (0.43) CYP19A1CYP26A1CYP3A4CYP17A1
SCHEMBL10530787 0.82 CYP19A1 (0.41) CYP19A1CYP17A1
SCHEMBL10467417 0.81 FNTA (0.48) CYP19A1CYP26A1CYP3A4CYP17A1FNTA
SCHEMBL2356494 0.81 CYP19A1 (0.42) CYP19A1CYP3A4CYP17A1FNTAFNTB
SCHEMBL10531073 0.80 CYP19A1 (0.41) CYP19A1CYP17A1
SCHEMBL2348989 0.79 ALDH1A1 (0.41) CYP19A1CYP26A1CYP3A4CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337929-A1 N-substituted imidazoles, process for their preparation and their pharmaceutical application SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-18 EP claimed
US-12590950-B2 Methods for predicting ER-mediated DNA damage UNIVERSITY OF MASSACHUSETTS (US) 2026-03-31 US disclosed
US-20210109085-A1 METHODS FOR PREDICTING ER-MEDIATED DNA DAMAGE UNIVERSITY OF MASSACHUSETTS 2021-04-15 US disclosed
US-8871750-B2 Use of aromatase inhibitors for endometrial thinning in preparation for surgical procedures on the endometrial cavity and uterus WAYNE STATE UNIVERSITY (US) 2014-10-28 US disclosed
US-8008333-B2 Inducing ovulation; increasing response to follicle stimulating hormone ARES TRADING S.A. (CH) 2011-08-30 US disclosed
US-7846957-B2 Aromatase inhibition to enhance assisted reproduction ARES TRADING S.A. (CH) 2010-12-07 US disclosed
US-7820706-B2 Multiple dose aromatase inhibitor for treating infertility ARES TRADING S.A. (CH) 2010-10-26 US disclosed
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CASPER ROBERT F 2010-04-29 US disclosed
EP-1898923-A4 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION CASPER ROBERT F (CA) 2009-05-20 EP disclosed
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
US-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol ARES TRADING S.A. (CH) 2004-10-14 US disclosed
US-20040171660-A1 Single dose aromatase inhibitor for treating infertility ARES TRADINS S.A. (CH) 2004-09-02 US disclosed
WO-2002083240-A9 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING SA (CH) 2004-05-06 WO disclosed
WO-2004012728-A1 COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE NOVARTIS AG (CH) 2004-02-12 WO disclosed
EP-1381431-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2004-01-21 EP disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2002083240-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083239-A1 AROMATASE INHIBITORS FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
EP-0337929-A1 N-substituted imidazoles, process for their preparation and their pharmaceutical application SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-18 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 (4 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-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol CYP19A1, CYP11A1, HSD17B11 CYP19A1 1/4885CYP26A1 37/4885CYP3A4 41/4885
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885CYP26A1 26/4885CYP3A4 32/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP19A1 7/4885CYP26A1 106/4885CYP3A4 532/4885
US-20040171660-A1 Single dose aromatase inhibitor for treating infertility CYP19A1, FSHR, SHBG CYP19A1 1/4885CYP26A1 23/4885CYP3A4 41/4885

“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.