SCHEMBL2352121

SCHEMBL2352121

N#Cc1ccc(Cc2cc(-c3ccc(C#N)cc3)ns2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.40
GAA P10253 1/20 0.40
CYP19A1 P11511 2/20 0.39
HRH3 Q9Y5N1 3/20 0.39
CYP2A6 P11509 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
CDC25C P30307 1/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 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
SCHEMBL9259206 0.72 NOTUM (0.46) CYP11B1CYP11B2LOXL2CYP19A1HRH3
SCHEMBL14155434 0.71 LOXL2 (0.58) CYP11B2LOXL2CYP19A1HRH3CYP2A6
SCHEMBL16848648 0.71 LOXL2 (0.58) CYP11B2LOXL2CYP19A1HRH3CYP2A6
SCHEMBL2356830 0.70 CYP11B1 (0.43) CYP11B1CYP11B2LOXL2CYP19A1HRH3
SCHEMBL398890 0.69 CYP11B1 (0.58) CYP11B1CYP11B2LOXL2CYP19A1HRH3
SCHEMBL1344068 0.69 LOXL2 (0.65) LOXL2CYP19A1HRH3CYP2A6SAE1
SCHEMBL9257429 0.66 HRH3 (0.49) CYP11B1CYP11B2LOXL2CYP19A1HRH3
SCHEMBL9265451 0.66 CYP11B1 (0.44) CYP11B1CYP11B2LOXL2GAACYP19A1
SCHEMBL8842489 0.66 MEN1 (0.44) CYP11B1CYP11B2LOXL2GAACYP19A1
SCHEMBL28677901 0.65 LOXL2 (0.46) LOXL2HRH3CYP2A6SAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477141-B1 Heteroarylmethylbenzols aromatase inhibitors CIBA GEIGY AG (CH) 1997-02-26 EP claimed
US-5246952-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1993-09-21 US claimed
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
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082336-A1 FEMALE BIRTH CONTROL METHOD JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2002083146-A1 MULTIPLE DOSE AROMATASE INHIBITOR 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-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
US-5378721-A AROMATASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1995-01-03 US disclosed
US-5246952-A Antitumor agents CIBA-GEIGY CORPORATION (US) 1993-09-21 US 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 (1 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-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP11B1 20/4885CYP11B2 25/4885LOXL2 3644/4885

“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.