SCHEMBL2351887

SCHEMBL2351887

N#Cc1ccc(Cn2ncnn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.64
CYP11B1 P15538 8/20 0.45
CYP11B2 P19099 8/20 0.45
CYP2A6 P11509 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL15542853 0.77 GRM2 (0.41) CYP19A1CYP11B1CYP11B2
SCHEMBL4833706 0.77 CYP11B1 (0.41) CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL932804 0.77 HTR1A (0.37) CYP19A1
Hydrochloric Acid SCHEMBL9697609 0.75 CYP11B1 (0.40) CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL15542865 0.72 ALDH1A1 (0.47) CYP11B1CYP11B2
SCHEMBL31272207 0.72 POLB (0.40) CYP19A1
SCHEMBL15942724 0.72 HSP90AA1 (0.44)
SCHEMBL2286797 0.71 CYP11B1 (0.64) CYP19A1CYP11B1CYP11B2CYP2A6LOXL2
SCHEMBL20421197 0.70 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL4834371 0.70 CYP19A1 (0.48) CYP19A1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP claimed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US claimed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 EP claimed
JP-3052874-A None JP disclosed
US-12590950-B2 Methods for predicting ER-mediated DNA damage UNIVERSITY OF MASSACHUSETTS (US) 2026-03-31 US disclosed
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
US-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol ARES TRADING S.A. (CH) 2004-10-14 US disclosed
US-20040171660-A1 Single dose aromatase inhibitor for treating infertility ARES TRADINS S.A. (CH) 2004-09-02 US 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
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
JP-H0352874-A SUBSTITUTED BENZONITRILE CIBA GEIGY AG 1991-03-07 JP disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 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 (4 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-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol CYP19A1, CYP11A1, HSD17B11 CYP19A1 1/4885CYP11B1 36/4885CYP11B2 47/4885
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885CYP11B1 20/4885CYP11B2 25/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP19A1 7/4885CYP11B1 525/4885CYP11B2 399/4885
US-20040171660-A1 Single dose aromatase inhibitor for treating infertility CYP19A1, FSHR, SHBG CYP19A1 1/4885CYP11B1 56/4885CYP11B2 99/4885

“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.