SCHEMBL2354748

SCHEMBL2354748

N#Cc1ccc(C(c2ccc(Br)cc2)c2cncnc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.83
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 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
SCHEMBL2355389 0.91 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1CYP3A4TSHR
SCHEMBL9165271 0.83 CYP19A1 (0.85) CYP19A1MAOBMAOACYP11B2CYP11B1
SCHEMBL4078028 0.75 CYP19A1 (0.68) CYP19A1MAOBMAOACYP11B2CYP11B1
SCHEMBL8700864 0.75 CYP19A1 (0.69) CYP19A1CYP11B2CYP11B1CYP3A4TSHR
Water SCHEMBL27994834 0.73 MAOB (0.73) CYP19A1MAOBMAOATSHRIDO1
SCHEMBL154636 0.73
SCHEMBL9790964 0.72 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1CYP3A4
SCHEMBL2354875 0.72 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1CYP3A4
Hydrochloric Acid SCHEMBL1507785 0.71 CYP19A1 (0.97) CYP19A1CYP11B2CYP11B1CYP3A4
SCHEMBL2352058 0.71 CYP19A1 (0.51) CYP19A1MAOBMAOACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1898923-A1 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION Casper, Robert F. (CA) 2008-03-19 EP disclosed
US-20080045484-A1 Use of Aromatase Inhibitors for Endometrial Thinning in Preparation for Surgical Procedures on the Endometrial Cavity and Uterus MOUNT SINAI HOSPITAL (CA) 2008-02-21 US disclosed
WO-2002083146-A1 MULTIPLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY 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
WO-2002083241-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083240-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
US-5637605-A ANTITUMOR AGENTS CIBA GEIGY CORPORATION (US) 1997-06-10 US disclosed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
US-5457209-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1995-10-10 US disclosed
US-5376669-A Antitumor agents CIBA-GEIGY CORP. (US) 1994-12-27 US disclosed
US-5227393-A estrogen-dependent diseases, anticancer CIBA-GEIGY CORPORATION (US) 1993-07-13 US disclosed
EP-0490816-A2 Fluoro-compounds CIBA-GEIGY AG (CH) 1992-06-17 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 (2 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-20080045484-A1 Use of Aromatase Inhibitors for Endometrial Thinning in Preparation for Surgical Procedures on the Endometrial Cavity and Uterus CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885MAOB 180/4885MAOA 127/4885
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885MAOB 70/4885MAOA 62/4885

“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.