SCHEMBL2352103

SCHEMBL2352103

CCCC(c1ccc(CC#N)cc1)n1ccnc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 17/20 0.62
▸ CYP19A1 P11511 3/20 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 SCHEMBL9996065 0.84 CYP17A1 (0.78) CYP17A1CYP19A1
SCHEMBL9784379 0.84 CYP19A1 (0.66) CYP17A1CYP19A1
SCHEMBL2348613 0.82 CYP17A1 (0.67) CYP17A1CYP19A1
SCHEMBL9784394 0.82 CYP17A1 (0.67) CYP17A1CYP19A1
SCHEMBL9784361 0.80 CYP17A1 (0.64) CYP17A1CYP19A1
SCHEMBL9791445 0.80 CYP17A1 (0.71) CYP17A1
SCHEMBL10520031 0.79 CYP17A1 (0.66) CYP17A1CYP19A1
SCHEMBL9784415 0.79 CYP17A1 (0.70) CYP17A1CYP19A1
SCHEMBL4578052 0.79 CYP17A1 (0.83) CYP17A1CYP19A1
SCHEMBL9784380 0.78 CYP17A1 (0.68) CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340153-A1 N-substituted imidazoles, process for their preparation and their use in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-02 — — EP claimed
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
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-1383578-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2004-01-28 — — EP disclosed
EP-1381431-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2004-01-21 — — EP disclosed
WO-2003082336-A1 FEMALE BIRTH CONTROL METHOD 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-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-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-5045558-A Aromatase inhibitors, prevention of estrogen biosynthesis, treatment of breast cancer SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-03 — — US disclosed
EP-0340153-A1 N-substituted imidazoles, process for their preparation and their use in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-02 — — 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 (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-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP17A1 4/4885CYP19A1 1/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP17A1 268/4885CYP19A1 7/4885

“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.

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