SCHEMBL2354875

SCHEMBL2354875

N#Cc1ccc(C(c2ccc(C#N)cc2)c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 1.00
CFTR P13569 1/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
GOPC Q9HD26 1/20 0.63
CYP11B2 P19099 3/20 0.56
CYP11B1 P15538 2/20 0.44
CYP17A1 P05093 1/20 0.44
KCNA5 P22460 3/20 0.44
NPY5R Q15761 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA4 P43681 1/20 0.41
KCNH2 Q12809 2/20 0.40

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
SCHEMBL9790964 1.00 CYP19A1 (1.00) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1507785 0.98 CYP19A1 (0.97) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9790876 0.95 CYP19A1 (0.90) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9165271 0.92 CYP19A1 (0.85) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9159683 0.88 CYP19A1 (0.78) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL5597318 0.86 CYP19A1 (0.74) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9165268 0.85 CYP19A1 (0.73) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1507962 0.85 CYP19A1 (0.73) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL13971463 0.83 CYP19A1 (0.71) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9159573 0.83 CYP19A1 (0.71) CYP19A1CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US claimed
US-5071861-A Aromatase enzyme inhibitor; antiestrogens CIBA-GEIGY CORPORATION (US) 1991-12-10 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
CN-100593401-C Combination of an aromatase inhibitor with a bisphosphonate NOVARTIS AG 2010-03-10 CN 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-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
US-5473078-A Aromatase inhibiting compounds CIBA-GEIGY CORPORATION (US) 1995-12-05 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-5352795-A Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide CIBA-GEIGY CORPORATION (US) 1994-10-04 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
US-5112845-A Inhibitors of estrogen synthesis, veterinary medicine CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 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 CYP19A1 1/4885CFTR 3968/4885SLC6A2 3642/4885

“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.