SCHEMBL2780241

SCHEMBL2780241

N#Cc1ccc(C2(Cc3ccccc3)CCCc3cncn32)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.62
CYP11B2 P19099 11/20 0.40
CYP11B1 P15538 6/20 0.40
KCNH2 Q12809 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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 SCHEMBL9265294 0.99 CYP19A1 (0.61) CYP19A1CYP11B2CYP11B1KCNH2NPSR1
SCHEMBL2352936 0.72 CYP19A1 (0.67) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1037718 0.72 CYP11B2 (0.48) CYP19A1CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL9265831 0.71 CYP19A1 (0.66) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1040733 0.71 CYP11B2 (0.47) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL3568461 0.70 CYP11B2 (0.61) CYP19A1CYP11B2CYP11B1KCNH2NPSR1
SCHEMBL2355664 0.68 CYP19A1 (0.60) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1037437 0.68 CYP19A1 (0.64) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL3466178 0.68 CYP19A1 (0.60) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL3568308 0.67 CYP11B2 (0.49) CYP19A1CYP11B2CYP11B1KCNH2NPSR1

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 44 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
EP-0165904-B1 SUBSTITUTED BICYCLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-04-10 EP claimed
US-4889861-A Substituted imidazo[1,5-a]pyridine derivatives and other substituted bicyclic derivatives and their use as aromatase inhibitors CIBA-GEIGY CORP. (US) 1989-12-26 US 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-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
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE 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-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
WO-2002083241-A1 SINGLE 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-0366609-B1 Use of bicyclic imidazole derivatives in treating hyperaldosteronism CIBA GEIGY AG (CH) 1994-04-27 EP disclosed
US-5057521-A USE OF BICYCLIC IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HYPERALDOSTERONISM CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0366609-A2 Use of bicyclic imidazole derivatives in treating hyperaldosteronism CIBA-GEIGY AG (CH) 1990-05-02 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 CYP19A1 1/4885CYP11B2 25/4885CYP11B1 20/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP19A1 7/4885CYP11B2 399/4885CYP11B1 525/4885

“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.