SCHEMBL2354871

SCHEMBL2354871

N#Cc1ccc(Cc2cccnc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.48
CYP11B1 P15538 1/20 0.48
LIMK2 P53671 1/20 0.47
SLC22A12 Q96S37 1/20 0.44
CYP19A1 P11511 1/20 0.42
TDO2 P48775 1/20 0.42
NSD2 O96028 1/20 0.41
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MET P08581 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
Hydrochloric Acid SCHEMBL1507784 0.98 CYP11B2 (0.47) CYP11B2CYP11B1LIMK2SLC22A12CYP19A1
SCHEMBL9165264 0.93 CYP11B2 (0.43) CYP11B2CYP11B1LIMK2SLC22A12CYP19A1
SCHEMBL9790872 0.93 CYP11B2 (0.48) CYP11B2CYP11B1LIMK2SLC22A12CYP19A1
SCHEMBL9159668 0.89 KIF11 (0.51) CYP11B2CYP11B1LIMK2SLC22A12TRPV1
SCHEMBL9790958 0.87 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1KCNN4KCNA5
SCHEMBL9165256 0.81 CYP11B1 (0.46) CYP11B2CYP11B1LIMK2CYP19A1TDO2
SCHEMBL9159577 0.81 CYP11B2 (0.47) CYP11B2CYP11B1CYP19A1LOXL2HRH3
SCHEMBL10589473 0.80 SLC22A12 (0.46) CYP11B2SLC22A12TDO2NSD2KCNN4
Hydrochloric Acid SCHEMBL1507779 0.79 CYP11B1 (0.46) CYP11B2CYP11B1CYP19A1LOXL2HRH3
SCHEMBL4152103 0.77 CYP2A6 (0.51) CYP11B2SLC22A12TDO2TRPV1CYP2A6

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 49 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
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
WO-2002083240-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION 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-5473078-A Aromatase inhibiting compounds CIBA-GEIGY CORPORATION (US) 1995-12-05 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-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 CYP11B2 25/4885CYP11B1 20/4885LIMK2 3787/4885

“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.