SCHEMBL2356830

SCHEMBL2356830

N#Cc1ccc(Cc2cnc(-c3ccc(C#N)cc3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41
CYP19A1 P11511 1/20 0.40
NAMPT P43490 3/20 0.39
CYP2A6 P11509 1/20 0.39
POLB P06746 1/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 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
SCHEMBL22300997 0.84 LOXL2 (0.47) CYP11B2HRH3LOXL2CYP19A1
SCHEMBL22300400 0.84 CYP2A6 (0.47) CYP11B1CYP11B2HRH3LOXL2LMNA
Hydrochloric Acid SCHEMBL18641507 0.83 LOXL2 (0.46) CYP11B2HRH3LOXL2CYP19A1
SCHEMBL4009961 0.81 EPHX2 (0.64) CYP11B1CYP11B2HRH3LOXL2EPHX2
SCHEMBL9267704 0.81 HRH3 (0.43) CYP11B1CYP11B2HRH3LOXL2EPHX2
SCHEMBL18667483 0.80 CYP2C19 (0.39) CYP11B1CYP11B2HRH3LOXL2CYP19A1
SCHEMBL1312626 0.77 HSD17B10 (0.58) CYP19A1CYP2A6
SCHEMBL21229041 0.76 EGLN1 (0.44) NAMPT
SCHEMBL18641516 0.75 MMP2 (0.40) LMNA
SCHEMBL22300549 0.75 GAA (0.44) CYP11B1CYP11B2HRH3CYP2A6

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 35 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-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-1383578-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2004-01-28 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-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 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 (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 CYP11B1 69/4885CYP11B2 63/4885HRH3 4396/4885
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP11B1 20/4885CYP11B2 25/4885HRH3 3329/4885

“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.