SCHEMBL1507789

SCHEMBL1507789

N#Cc1ccc(C(c2cccnc2)n2ccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.78
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
CYP17A1 P05093 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
USP2 O75604 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PLA2G1B P04054 1/20 0.54
TP53 P04637 1/20 0.54
PGR P06401 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
MAOA P21397 1/20 0.54
CNR1 P21554 1/20 0.54
HTR2A P28223 1/20 0.54

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 SCHEMBL9517892 0.99 CYP19A1 (0.76) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
Sulfuric Acid SCHEMBL1507867 0.93 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL1507754 0.89 CYP19A1 (0.88) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL1507825 0.89 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL1507734 0.83 CYP19A1 (0.88) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL1507798 0.82 CYP19A1 (0.85) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL1507987 0.82 CYP19A1 (0.85) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL1507768 0.78 CYP19A1 (0.78) CYP19A1CYP11B1CYP11B2
SCHEMBL9164999 0.78 CYP19A1 (0.78) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
Hydrochloric Acid SCHEMBL9440592 0.78 CYP19A1 (0.72) CYP19A1CYP11B1CYP11B2CYP17A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236940-B3 Alpha-heterocycle substituted tolunitriles NOVARTIS AG (CH) 2011-03-23 EP claimed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US claimed
EP-0236940-B1 ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES CIBA-GEIGY AG (CH) 1993-09-22 EP claimed
US-4937250-A AROMATASE ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1990-06-26 US claimed
US-4749713-A Alpha-heterocycle substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1988-06-07 US claimed
EP-0236940-A2 Alpha-heterocycle substituted tolunitriles CIBA-GEIGY AG (CH) 1987-09-16 EP 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
EP-0236940-B3 Alpha-heterocycle substituted tolunitriles NOVARTIS AG (CH) 2011-03-23 EP 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-0236940-B1 ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES CIBA-GEIGY AG (CH) 1993-09-22 EP disclosed
US-5112845-A Inhibitors of estrogen synthesis, veterinary medicine CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-5071861-A Aromatase enzyme inhibitor; antiestrogens CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 US disclosed
US-4937250-A AROMATASE ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1990-06-26 US disclosed
US-4749713-A Alpha-heterocycle substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1988-06-07 US disclosed
EP-0236940-A2 Alpha-heterocycle substituted tolunitriles CIBA-GEIGY AG (CH) 1987-09-16 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 (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 1/4885CYP11B1 20/4885CYP11B2 25/4885

“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.